7alpha-Hydroxysitosterol
(3S,7S,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]phenanthrene-3,7-diol
Also Known As: Ikshusterol|Hydroxysitosterol|7-hydroxysitosterol|7alpha-Hydroxysitosterol|stigmast-5-ene-3beta,7alpha-diol|7alpha-hydroxy sitosterol|7alpha-Hydroxy-beta-sitosterol|(3beta,7alpha)-stigmast-5-ene-3,7-diol|HY-N4017|NP6043|FS-9783|Stigmast-5-ene-3,7-diol,(3b,7a)-|stigmast-5-ene-3,7-diol,(3|A,7|A)-|Stigmast-5-ene-3,7-diol, (3beta,7alpha)-|ikshusterol;3beta,7alpha-dihydroxystigmast-5-ene|(24R)-24-Ethylcholest-5-ene-3beta,7alpha-diol|Stigmast-5-ene-3,7-diol, (3.beta.,7.alpha.)-|(3S,7S,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]phenanthrene-3,7-diol|(1R,3aS,3bS,4S,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,7-diol|(1R,3AS,3BS,4S,7S,9AR,9BS,11AR)-1-[(2R,5R)-5-ETHYL-6-METHYLHEPTAN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHRENE-4,7-DIOL|(3S,7S,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)phenanthrene-3,7-diol|Stigmast-5-ene-3,7-diol (8CI); (3,7)-Stigmast-5-ene-3,7-diol; 3,7-Dihydroxystigmast-5-ene; 7-Hydroxy--sitosterol; 7-Hydroxysitosterol
| Molecular Formula | C29H50O2 |
|---|---|
| Molecular Weight | 430.38107 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.38107 |
| Monoisotopic Mass | 430.38107 |
| Heavy Atoms | 31 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 39110-74-2 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)C(C)C |
| InChIKey | SXJVFYZNUGGHRG-GDDJFQTCSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7alpha-Hydroxysitosterol (CAS 39110-74-2), with molecular formula C29H50O2 and molecular weight 430.38107 g/mol. IUPAC: (3S,7S,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]phenanthrene-3,7-diol.