| 2D Structure | |
| CID | 5280794 |
| Target | POLB |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-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/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChI Key | HCXVJBMSMIARIN-PHZDYDNGSA-N |
| Canonical SMILES | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
| Isomeric SMILES | CC[C@H](/C=C/[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 Formula | C29H48O |
| Molecular Weight | 412.7 |
| synonyms | ['STIGMASTEROL', '83-48-7', 'Stigmasterin', 'beta-Stigmasterol', 'Stigmasta-5,22-dien-3beta-ol', '(24S)-5,22-Stigmastadien-3beta-ol', 'Stigmasta-5,22-dien-3-beta-ol', 'UNII-99WUK5D0Y8', 'Stigmasta-5,22-dien-3-ol, (3beta,22E)-', 'Delta5-Stigmasterol', 'STIMASTEROL', '99WUK5D0Y8', 'CCRIS 7476', 'CHEBI:28824', 'HSDB 7683', '(3beta,22E)-Stigmasta-5,22-dien-3-ol', 'NSC 8095', 'NSC-8095', 'EINECS 201-482-7', 'Wulzen anti-stiffness factor', 'Stigmasta-5,22-dien-3-ol, (3beta)-', 'DTXSID801015733', 'Delta5,22-Stigmastadien-3beta-ol', '5,22-Cholestadien-24-ethyl-3beta-ol', 'GUINEA-PIG-ANTI-STIFFNESS FACTOR', '(22E)-stigmasta-5,22-dien-3beta-ol', 'DTXCID601473919', 'STIGMASTEROL (CONSTITUENT OF PYGEUM)', 'STIGMASTEROL (CONSTITUENT OF SAW PALMETTO)', '3beta-HYDROXY-24-ETHYL-delta(SUP 5,22)-CHOLESTADIENE', '201-482-7', '.beta.-Stigmasterol', 'Stigmasta-5,22-dien-3-ol', 'Stigmasta-5,22E-dien-3beta-ol', 'Stigmasta-5,22-dien-3-ol, (3b,22E)-', 'MFCD00003630', '.delta.5,22-Stigmastadien-3.beta.-ol', '3beta-Hydroxy-24-ethyl-5,22-cholestadiene', '(3.beta.,22E)-Stigmasta-5,22-dien-3-ol', '(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol', '(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol', '5,22-Stigmastadien-3beta-ol', 'Serposterol', 'b-stigmasterol', 'Stigmasta-5,22-dien-3.beta.-ol', 'D5-Stigmasterol', 'Stigmasterol, ~95%', 'STIGMASTEROL [MI]', 'STIGMASTEROL [HSDB]', 'SCHEMBL23999', '.DELTA.5-STIGMASTEROL', 'STIGMASTEROL [WHO-DD]', 'stigmasta-5,22t-dien-3b-ol', 'CHEMBL400247', 'stigmasta-5,22-dien-3-b-ol', 'MSK7509', 'GLXC-13540', 'HY-N0131', '(24S)-5,22-stigmastadien-3b-ol', 'BDBM50376364', 'HB4095', 'LMST01040123', 's2361', 'STL570256', '24aFH-stigmasta-5,22t-dien-3b-ol', 'AKOS022168193', 'CS-7746', 'FS12894', '(24S)-Stigmast-5,22-dien-3beta-ol', '(24xH)-stigmasta-5,22t-dien-3b-ol', '24-Ethyl-5,22-cholestadien-3beta-ol', '(24aFH)-stigmasta-5,22t-dien-3b-ol', '(24x)-ethylcholesta-5,22-dien-3b-ol', 'NCGC00142599-03', '(3b,22E)-stigmasta-5,22-dien-3-ol', '14-((2E)(4S,1R)-4-ethyl-1,5-dimethylhex-2-enyl)(1S,5S,10S,11S,2R,14R,15R)-2,15 -dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-ol', '24x-24-ethylcholest-5,22-dien-3b-ol', 'AS-15473', 'BP-40651', '24-Ethyl-5,22-cholestadien-3.beta.-ol', '5,22-Cholestadien-24beta-ethyl-3beta-ol', 'rac-(24xH)-stigmasta-5,22t-dien-3b-ol', '(24S)-24-Ethylcholesta-5,22-dien-3beta-ol', 'C05442', 'Q425004', 'STIGMASTEROL (CONSTITUENT OF PYGEUM) [DSC]', 'BRD-K41422683-001-02-2', 'STIGMASTEROL (CONSTITUENT OF SAW PALMETTO) [DSC]', '3.BETA.-HYDROXY-24-ETHYL-.DELTA.(SUP 5,22)-CHOLESTADIENE', 'Stigmasterol, certified reference material, 10 mg/mL in chloroform', '17-(4-ethyl-1,5-dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol'] |
From Pubchem