Compound Summary
Compound Information
BETA-SITOSTEROL
Compound Name: | BETA-SITOSTEROL |
Compound CID: | 222284 |
Synonyms: | BETA-SITOSTEROL 83-46-5 Sitosterol Cupreol Azuprostat More... |
Iupac Name: | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
InChI: | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
InChIKey: | KZJWDPNRJALLNS-VJSFXXLFSA-N |
Canonical Smiles: | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
Isomeric Smiles: | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C |
Molecular Weight: | 414.7 |
Molecular Formula: | C29H50O |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
BETA-SITOSTEROL
Molecular Weight: | 414.7 |
Molecular Formula: | C29H50O |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 1 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 30 |
Complexity: | 634 |
Synonyms
BETA-SITOSTEROL
| BETA-SITOSTEROL | BETA-SITOSTEROL |
|---|---|
BETA-SITOSTEROL |
83-46-5 |
Sitosterol |
Cupreol |
Azuprostat |
22,23-Dihydrostigmasterol |
Quebrachol |
Triastonal |
beta-Sitosterin |
Nimbosterol |
Cinchol |
Harzol |
Rhamnol |
B-Sitosterol |
alpha-Dihydrofucosterol |
(-)-beta-Sitosterol |
Prostasal |
Sito-Lande |
24alpha-Ethylcholesterol |
(24R)-Ethylcholest-5-en-3beta-ol |
(3beta)-Stigmast-5-en-3-ol |
Sobatum |
(24R)-Stigmast-5-en-3beta-ol |
Angelicin (steroid) |
Stigmast-5-en-3beta-ol |
a-Dihydrofucosterol |
UNII-S347WMO6M4 |
SKF 14463 |
CHEBI:27693 |
NSC8096 |
Stigmast-5-en-3-ol, (3beta)- |
CHEMBL221542 |
S347WMO6M4 |
.beta.-Sitosterol |
NSC49083 |
NSC 18173 |
Stigmasterol,23-dihydro- |
Stigmast-5-en-3-ol, (3.beta.)- |
Q63409374 |
Stigmasterol, 22,23-dihydro- |
Betaprost |
.beta.-Sitosterin |
beta Sitosterol |
NSC 8096 |
MFCD00003631 |
alpha-Phytosterol |
(3S,8S,9S,10R,13R,14S,17R)-17-(2R,5R)-5-ethyl-6-methylheptan-2-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopentaaphenanthren-3-ol |
14-((1S,4R)-4-ethyl-1,5-dimethylhexyl)(1S,5S,10S,11S,2R,14R,15R)-2,15-dimethyl tetracyclo8.7.0.0<2,7>.0<11,15>heptadec-7-en-5-ol |
SITOSTEROL, BETA |
.alpha.-Dihydrofucosterol |
24.alpha.-Ethylcholesterol |
Stigmast-5-en-3-ol, (3b)- |
Stigmast-5-en-3.beta.-ol |
SR-05000002307 |
24-alpha-Ethylcholesterol |
Stigmast-5-en-3-beta-ol |
delta5-Stigmasten-3-beta-ol |
Sitosterol beta |
a-Phytosterol |
b-Sitosterin |
beta-Phytosterol |
Beta-sistosterol |
CCRIS 5529 |
ss--Sitosterol |
.beta.Sitosterin |
.beta.Sitosterol |
(3-beta)-Stigmast-5-en-3-ol |
C29H50O |
CAS-83-46-5 |
NCGC00095716-01 |
(3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopentaaphenanthren-3-ol |
(3S,8S,9S,10R,13R,14S,17R)-17-(1R,4R)-4-ethyl-1,5-dimethyl-hexyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopentaaphenanthren-3-ol |
EINECS 201-480-6 |
(-)-b-Sitosterol |
Harzol (TN) |
24a-Ethylcholesterol |
alpha.Dihydrofucosterol |
D5-Stigmasten-3b-ol |
Stigmast-5-en-3b-ol |
AI3-26020 |
Prestwick0_000985 |
Prestwick1_000985 |
Prestwick2_000985 |
Prestwick3_000985 |
Delta5-Stigmasten-3b-ol |
stigmast-5-ene-3beta-ol |
DSSTox_CID_2481 |
beta-Sitosterol, >=70% |
beta-Sitosterol (Synthetic) |
DSSTox_RID_76601 |
BIDD:PXR0121 |
DSSTox_GSID_22481 |
SCHEMBL16105 |
22,23-dihydro-Stigmasterol |
BSPBio_001049 |
ARONIS24293 |
BIDD:ER0636 |
SPBio_002950 |
BPBio1_001155 |
MEGxp0_001710 |
DTXSID5022481 |
(24R)-Stigmast-5-en-3b-ol |
ACon1_000287 |
CHEBI:176889 |
HMS1571E11 |
HMS2098E11 |
(24R)-Ethylcholest-5-en-3b-ol |
24-Ethylcholest-5-en-3.beta.-ol |
NSC-8096 |
NSC18173 |
ZINC4095717 |
beta-Sitosterol, analytical standard |
Tox21_111514 |
BDBM50218197 |
beta-Sitosterol, synthetic, >=95% |
LMST01040129 |
NSC-18173 |
NSC-49083 |
s2273 |
SBB012603 |
AKOS005267194 |
CCG-208334 |
DB14038 |
MCULE-2409753351 |
beta-Sitosterol, from soybean, >=96% |
SMP1_000274 |
NCGC00142598-02 |
NCGC00142598-03 |
AC-24183 |
M047 |
NCI60_041777 |
ST069312 |
AB0015024 |
AB00513984 |
N1688 |
S0040 |
C01753 |
D08518 |
A840577 |
Q-200712 |
SR-05000002307-2 |
SR-05000002307-3 |
beta-Sitosterol, analytical standard, from soybean, >=40% |
beta-Sitosterol, primary pharmaceutical reference standard |
UNII-3OE0DD1I5J component KZJWDPNRJALLNS-VJSFXXLFSA-N |
UNII-B46B6DD20U component KZJWDPNRJALLNS-VJSFXXLFSA-N |
UNII-D083681CDS component KZJWDPNRJALLNS-VJSFXXLFSA-N |
UNII-G7V636VTDY component KZJWDPNRJALLNS-VJSFXXLFSA-N |
Beta-sitosterol, European Pharmacopoeia (EP) Reference Standard |
beta-Sitosterol, United States Pharmacopeia (USP) Reference Standard |
beta-Sitosterol, certified reference material, 100 mug/mL in chloroform |
(3S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopentaaphenanthren-3-ol |
17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopentaaphenanthren-3-ol |
Experimental Data
BETA-SITOSTEROL
| 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 | 0.019 | umol/L | Unclear | N2 | 33683565 |
Experimental Data Visualization
BETA-SITOSTEROL
Statistics Data
BETA-SITOSTEROL
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1 | 1 |
Statistics Data Visualization
BETA-SITOSTEROL
