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Compound Summary

Compound Information

Vitamin D3

Compound Name:	Vitamin D3
Compound CID:	5280795
Synonyms:	Vitamin D3 cholecalciferol 67-97-0 Calciol Colecalciferol More...
Iupac Name:	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI:	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
InChIKey:	QYSXJUFSXHHAJI-YRZJJWOYSA-N
Canonical Smiles:	CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Isomeric Smiles:	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
Molecular Weight:	384.6
Molecular Formula:	C27H44O

Compound Structure

2D Structure:

3D Structure:

Computed Properties

Vitamin D3

Molecular Weight:	384.6
Molecular Formula:	C27H44O
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	6
Heavy Atom Count:	28
Complexity:	610

Synonyms

Vitamin D3

Vitamin D3	Vitamin D3
Vitamin D3	cholecalciferol
67-97-0	Calciol
Colecalciferol	Oleovitamin D3
Arachitol	Ricketon
Trivitan	Deparal
Vigorsan	Activated 7-dehydrocholesterol
Colecalcipherol	Delsterol
Ebivit	Quintox
Cholecalciferolum	(+)-Vitamin D3
D3-Vicotrat	D3-Vigantol
vitamin d-3	Vi-de-3-hydrosol
NEO Dohyfral D3	Vitinc Dan-Dee-3
Colecalciferolum	1406-16-2
Cholecalciferol, D3	Vi-De3
Duphafral D3 1000	FeraCol
CC	CHEBI:28940
MFCD00078131	(1S,3Z)-3-(2E)-2-(1R,3aS,7aR)-7a-methyl-1-(2R)-6-methylheptan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylideneethylidene-4-methylidenecyclohexan-1-ol
NSC 375571	9,10-Secocholesta-5,7,10(19)-trien-3-beta-ol
7-Dehydrocholesterol activated	Micro-dee
7-Dehydrocholesterol, Activated	VidDe-3-hydrosol
Vitamin D3 solution	NSC-375571
Colecalciferol (INN)	Colecalciferol INN
NCGC00159331-02	Rampage
(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol	(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol
(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol	DSSTox_CID_6294
DSSTox_RID_78090	DSSTox_GSID_26294
Provitina	Vitamin D3 (Cholecalciferol)
UNII-1C6V77QF41	22350-41-0
9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3beta-ol	Colecalciferolo
(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol	Colecalciferolo DCIT
9,10-Secocholesta-5(Z),7(E),10(19)-trien-3(.beta.)-ol	Vigantol Oil
(5e)-cholecalciferol	Colecalciferol D3
(1S,3Z)-3-(2E)-2-(1R,3aS,7aR)-1-(1R)-1,5-dimethylhexyl-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylideneethylidene-4-methylene-cyclohexanol	(S,Z)-3-(2-((1R,3aS,7aR,E)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexan-1-ol
Cyclohexanol, 3-(2E)-2-(1R,3aS,7aR)-1-(1R)-1,5-dimethylhexyloctahydro-7a-methyl-4H-inden-4-ylideneethylidene-4-methylene-, (1S,3Z)-	Colecalciferolum INN-Latin
Vitamin D 3	7-Dehydrocholestrol, activated
Irradiated 7-dehydrocholesterol	CCRIS 5813
CCRIS 6286	HSDB 820
7-Dehydrocholesterol, irradiated	Vitamin D3 emulsifiable
EINECS 200-673-2	EINECS 215-797-2
EPA Pesticide Chemical Code 202901	Vitamin D3; Cholecalciferol
1C6V77QF41	Devaron
Videkhol	NSC375571
Granuvit D3	Delta-D
DP-R206	CAS-67-97-0
Prestwick_63	Cholecalciferol D3
Cyclohexanol, 3-((2E)-2-((1R,3aS,7aR)-1-((1R)-1,5-dimethylhexyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1S,3Z)-	Cholecalciferol USP:BAN:JAN:ISO
()-Vitamin D3	9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3-ol
Delta-D (TN)	9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)-
Prestwick3_000429	bmse000507
UPCMLD-DP152	SCHEMBL3126
CHEMBL1042	BSPBio_000418
Cholecalciferol; 67-97-0	Cholecalciferol (JP17/USP)
BPBio1_000460	MEGxm0_000458
DTXSID6026294	UPCMLD-DP152:001
ACon1_001997	HMS2096E20
Vitamin d assay system suitability	Cholecalciferol, >=98% (HPLC)
9,10-Secocholestra-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)-	Cholecalciferol, analytical standard
ZINC4474460	Tox21_111578
Tox21_202546	BDBM50030475
LMST03020001	s4063
AKOS015950641	AC-8884
CCG-268466	CS-1179
DB00169	SMP1_000068
AK R215 COMPONENT COLECALCIFEROL	AK-R215 COMPONENT COLECALCIFEROL
NCGC00091072-01	NCGC00159331-04
NCGC00260095-01	BS-42465
HY-15398	K119
Vitamin D3 10 microg/mL in Acetonitrile	9,10-secocholesta-5,7,10-trien-3-ol
Cholecalciferol (D3), analytical standard	3412-EP2314590A1
3412-EP2316832A1	3412-EP2316833A1
7058-EP2305662A1	C05443
D00188	86554-EP2270000A1
86554-EP2272827A1	86554-EP2289483A1
86554-EP2305640A2	86554-EP2305684A1
9,10-Secocholesta-5,7,10(19)-trien-3-ol	Cholecalciferol, meets USP testing specifications
078V131	9,10-Secocholesta-5,7,10(19)-trien-3?-ol
Q139347	(5E,7E)-9,10-Secocholesta-5,7,10-trien-3-ol
Q-201931	3-beta,Z,7E-9,10-Secocholestr-5,7,10(19)-trien-3-ol
Vitamin D3 solution, 100 mug/mL in ethanol, 97% (CP)	(3beta,Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol
9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3b,5Z,7E)-	Cholecalciferol, European Pharmacopoeia (EP) Reference Standard
Colecalciferol, British Pharmacopoeia (BP) Reference Standard	Cholecalciferol, United States Pharmacopeia (USP) Reference Standard
Cholecalciferol for system suitability, European Pharmacopoeia (EP) Reference Standard	Vitamin D3 solution, 1 mg/mL in ethanol, ampule of 1 mL, certified reference material
(1S,3Z)-3-(2E)-2-7a-Methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylideneethylidene-4-methylidenecyclohexan-1-ol	Cholecalciferol (Vitamin D3), Pharmaceutical Secondary Standard; Certified Reference Material

Experimental Data

Vitamin D3

Species	Dosage	Unit	CG Lifespan(AVG/MED days)	TG Lifespan(AVG/MED days)	Lifespan Change(AVG/MED%)	CG Lifespan(MAX days)	TG Lifespan(MAX days)	Lifespan Change(MAX%)	Significant	Strain	Gender	PubMed	Active Label
Caenorhabditis elegans	400	umol/L	20.7	24.8	0.2				S	N2		36001277	Active
Caenorhabditis elegans	1000	ug/mL			39				S	N2		24304198	Active

Experimental Data Visualization

Vitamin D3

Statistics Data

Vitamin D3

Species	Lifespan Change(AVG/MED%)	Lifespan Change(MAX%)	Count Reference	Count Data point
Caenorhabditis elegans	39		2	2

Statistics Data Visualization

Vitamin D3

Compound Name:

Vitamin D3

Compound CID:

5280795

Synonyms:

Vitamin D3 cholecalciferol 67-97-0 Calciol Colecalciferol More...

Iupac Name:

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

InChI:

InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1

InChIKey:

QYSXJUFSXHHAJI-YRZJJWOYSA-N

Canonical Smiles:

CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

Isomeric Smiles:

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

Molecular Weight:

384.6

Molecular Formula:

C27H44O

Molecular Weight:

384.6

Molecular Formula:

C27H44O

Hydrogen Bond Donor Count:

1

Hydrogen Bond Acceptor Count:

1

Rotatable Bond Count:

6

Heavy Atom Count:

28

Complexity:

610

Vitamin D3

cholecalciferol

67-97-0

Calciol

Colecalciferol

Oleovitamin D3

Arachitol

Ricketon

Trivitan

Deparal

Vigorsan

Activated 7-dehydrocholesterol

Colecalcipherol

Delsterol

Ebivit

Quintox

Cholecalciferolum

(+)-Vitamin D3

D3-Vicotrat

D3-Vigantol

vitamin d-3

Vi-de-3-hydrosol

NEO Dohyfral D3

Vitinc Dan-Dee-3

Colecalciferolum

1406-16-2

Cholecalciferol, D3

Vi-De3

Duphafral D3 1000

FeraCol

CC

CHEBI:28940

MFCD00078131

(1S,3Z)-3-(2E)-2-(1R,3aS,7aR)-7a-methyl-1-(2R)-6-methylheptan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylideneethylidene-4-methylidenecyclohexan-1-ol

NSC 375571

9,10-Secocholesta-5,7,10(19)-trien-3-beta-ol

7-Dehydrocholesterol activated

Micro-dee

7-Dehydrocholesterol, Activated

VidDe-3-hydrosol

Vitamin D3 solution

NSC-375571

Colecalciferol (INN)

Colecalciferol INN

NCGC00159331-02

Rampage

Vitamin D3

cholecalciferol

67-97-0

Calciol

Colecalciferol

More...