ACDB Search

Compound Summary

17alpha-Estradiol

Compound Information

17alpha-Estradiol

Compound Name:	17alpha-Estradiol
Compound CID:	68570
Synonyms:	17alpha-Estradiol 57-91-0 alpha-Estradiol Alfatradiol Epiestradiol More...
Iupac Name:	(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
InChIKey:	VOXZDWNPVJITMN-SFFUCWETSA-N
Canonical Smiles:	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
Isomeric Smiles:	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O
Molecular Weight:	272.4
Molecular Formula:	C18H24O2

Compound Structure

2D Structure:

3D Structure:

Computed Properties

17alpha-Estradiol

Molecular Weight:	272.4
Molecular Formula:	C18H24O2
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Heavy Atom Count:	20
Complexity:	382

Synonyms

17alpha-Estradiol

17alpha-Estradiol	17alpha-Estradiol
17alpha-Estradiol	57-91-0
alpha-Estradiol	Alfatradiol
Epiestradiol	17-alpha-Estradiol
Epiestrol	3,17-Dihydroxyestratriene
17a-estradiol	Estradiol-17alpha
17-Epiestradiol	Estra-1,3,5(10)-triene-3,17alpha-diol
(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopentaaphenanthrene-3,17-diol	17alpha estradiol
NSC 20293	Alfatradiol INN
UNII-3VQ38D63M7	17.alpha.-Estradiol
17.alpha.-Oestradiol	Oestradiol-17.alpha.
Estradiol, 17.alpha.-	CHEBI:17160
3VQ38D63M7	17-epi-Estradiol
C18H24O2	(17alpha)-estra-1,3,5(10)-triene-3,17-diol
Alfatradiol (INN)	Estra-1,3,5(10)-triene-3,17-diol, (17a)-
(8R,9S,13S,14S,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol	Epiestradial
DSSTox_CID_2377	DSSTox_RID_76564
DSSTox_GSID_22377	a-Estradiol
CAS-57-91-0	(1S,10R,11S,14R,15S)-15-methyltetracyclo8.7.0.0^{2,7}.0^{11,15}heptadeca-2(7),3,5-triene-5,14-diol
Oestradiol-17alpha	Oestradiol-17-alpha
3,3,5(10)-triene	CCRIS 7203
NSC-20293	17a-Oestradiol
1,3,5-Estratriene-3,17.alpha.-diol	I+/--Astradiol
17 alpha-estradiol	EINECS 200-354-8
1,3,5-Estratriene-3,17-alpha-diol	Estradiol, 17alpha-
BRN 2698044	Estra-1,3,5(10)-triene-3,17.alpha.-diol
Oestra-1,3,5(10)-triene-3,17.alpha.-diol	3,17.alpha.-Dihydroxyestra-1,3,5(10)-triene
alpha-Estradiol, 98%	Estra-1,3,5(10)-triene-3,17a-diol
(17?)-Estra-1,3,5(10)-triene-3,17-diol	3,17.alpha.-Dihydroxyoestra-1,3,5(10)-triene
Oestra-1,3,5(10)-triene-3,17alpha-diol	UPCMLD-DP131
3,17alpha-Dihydroxyestra-1,3,5(10)-triene	3,17alpha-Dihydroxyoestra-1,3,5(10)-triene
3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene	Ethinyl Estradiol Impurity L
KBioGR_002281	KBioSS_002282
4-06-00-06611 (Beilstein Handbook Reference)	BIDD:ER0163
SCHEMBL121568	CHEMBL286452
DTXSID8022377	UPCMLD-DP131:001
BDBM20624	HY-B0141A
KBio2_002281	KBio2_004849
KBio2_007417	KBio3_002761
MITO-4509	ABP-150
cMAP_000011	1,3,5-Estratriene-3,17a-diol
NSC20293	ZINC3815415
Tox21_201262	Tox21_303644
LMST02010029	MFCD00064144
s5910	1,5-Estratriene-3,17.alpha.-diol
AKOS024457306	AC-2168
GS-5672	MX-4509
NCGC00161666-01	NCGC00161666-02
NCGC00161666-03	NCGC00161666-04
NCGC00256569-01	NCGC00258814-01
alpha-Estradiol, powder, >=98% (TLC)	Oestra-1,3,5(10)-triene-3,17a-diol
3,17a-Dihydroxyestra-1,3,5(10)-triene	3,17a-Dihydroxyoestra-1,3,5(10)-triene
B7201	CS-0014231
E0919	Estra-1,5(10)-triene-3,17.alpha.-diol
Oestra-1,5(10)-triene-3,17.alpha.-diol	C02537
D07121	H10403
064E144	13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol
17-alpha-Estradiol 100 microg/mL in Acetonitrile	alpha-Estradiol, VETRANAL(TM), analytical standard
Q4721888	WLN: L E5 B666TTT&J E1 FQ OQ 17-ALPHA
13beta-methyl-1,3,5(10)-gonatrien-3,17alpha-diol	Estra-1,5(10)-triene-3,17-diol, (17.alpha.)-
Estra-1,3,5(10)-triene-3,17-diol, (17-alpha)-	23E54080-77C2-4457-A388-FCBCE0B68C38
17alpha-Estradiol (17-epi-Estradiol; Estra-1,3,5(10)-triene-3,17alpha-diol)	Estra-1,3,5(10)-triene-3,17alpha-diol (17alpha-Estradiol; 17-epi-Estradiol)

Experimental Data

17alpha-Estradiol

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Mus musculus	4.800000000000000	mg/kg	925.000000000000000	949.000000000000000	3.000000000000000	1151.000000000000000	1187.000000000000000	0.030000000000000	NS	UM	MALES	24245565	Inactive
Mus musculus	4.800000000000000	mg/kg	918.000000000000000	867.000000000000000	-6.000000000000000	1084.000000000000000	1107.000000000000000	0.020000000000000	NS	TJL	FEMALES	24245565	Inactive
Mus musculus	4.800000000000000	mg/kg	807.000000000000000	828.000000000000000	3.000000000000000	1061.000000000000000	1117.000000000000000	0.050000000000000	NS	TJL	MALES	24245565	Inactive
Mus musculus	14.400000000000000	ppm	874.000000000000000	883.000000000000000	1.000000000000000	1092.000000000000000	1091.000000000000000	0.000000000000000	NS	C2011	FEMALES	27312235	Inactive
Mus musculus	4.800000000000000	mg/kg	864.000000000000000	903.000000000000000	5.000000000000000	1062.000000000000000	1079.000000000000000	0.020000000000000	NS	UT	FEMALES	24245565	Inactive
Mus musculus	14.400000000000000	ppm	780.000000000000000	925.000000000000000	19.000000000000000	1064.000000000000000	1193.000000000000000	12.000000000000000	S	C2011	MALES	27312235	Active
Mus musculus	4.800000000000000	mg/kg	887.000000000000000	910.000000000000000	3.000000000000000	1089.000000000000000	1006.000000000000000	-0.080000000000000	NS	UM	FEMALES	24245565	Inactive
Mus musculus	4.800000000000000	mg/kg	704.000000000000000	900.000000000000000	28.000000000000000	1013.000000000000000	1110.000000000000000	0.100000000000000	S	UT	MALES	24245565	Active

Experimental Data Visualization

17alpha-Estradiol

Statistics Data

17alpha-Estradiol

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Mus musculus	28.000000000000000	12.000000000000000	2	8

Statistics Data Visualization

17alpha-Estradiol

Compound Name:

17alpha-Estradiol

Compound CID:

68570

Synonyms:

17alpha-Estradiol 57-91-0 alpha-Estradiol Alfatradiol Epiestradiol More...

Iupac Name:

(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

InChI:

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1

InChIKey:

VOXZDWNPVJITMN-SFFUCWETSA-N

Canonical Smiles:

CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

Isomeric Smiles:

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O

Molecular Weight:

272.4

Molecular Formula:

C18H24O2

Molecular Weight:

272.4

Molecular Formula:

C18H24O2

Hydrogen Bond Donor Count:

2

Hydrogen Bond Acceptor Count:

2

Rotatable Bond Count:

0

Heavy Atom Count:

20

Complexity:

382

17alpha-Estradiol

57-91-0

alpha-Estradiol

Alfatradiol

Epiestradiol

17-alpha-Estradiol

Epiestrol

3,17-Dihydroxyestratriene

17a-estradiol

Estradiol-17alpha

17-Epiestradiol

Estra-1,3,5(10)-triene-3,17alpha-diol

(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopentaaphenanthrene-3,17-diol

17alpha estradiol

NSC 20293

Alfatradiol INN

UNII-3VQ38D63M7

17.alpha.-Estradiol

17.alpha.-Oestradiol

Oestradiol-17.alpha.

Estradiol, 17.alpha.-

CHEBI:17160

3VQ38D63M7

17-epi-Estradiol

C18H24O2

(17alpha)-estra-1,3,5(10)-triene-3,17-diol

Alfatradiol (INN)

Estra-1,3,5(10)-triene-3,17-diol, (17a)-

(8R,9S,13S,14S,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol

Epiestradial

DSSTox_CID_2377

DSSTox_RID_76564

DSSTox_GSID_22377

a-Estradiol

CAS-57-91-0

(1S,10R,11S,14R,15S)-15-methyltetracyclo8.7.0.0^{2,7}.0^{11,15}heptadeca-2(7),3,5-triene-5,14-diol

Oestradiol-17alpha

Oestradiol-17-alpha

3,3,5(10)-triene

CCRIS 7203

NSC-20293

17a-Oestradiol

1,3,5-Estratriene-3,17.alpha.-diol

I+/--Astradiol

17 alpha-estradiol

EINECS 200-354-8

17alpha-Estradiol

57-91-0

alpha-Estradiol

Alfatradiol

Epiestradiol

More...