| 2D Structure | |
| CID | 5281331 |
| Target | / |
| IUPAC Name | (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChI Key | JZVFJDZBLUFKCA-FXIAWGAOSA-N |
| Canonical SMILES | CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(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]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C |
| Molecular Formula | C29H48O |
| Molecular Weight | 412.7 |
| synonyms | ['alpha-Spinasterol', 'Spinasterol', '481-18-5', 'Bessisterol', 'alpha-Spinasterin', 'Hitodesterol', '5-alpha-Stigmasta-7,22-dien-3-beta-ol, (E)-', 'UNII-0LG993QX1A', '0LG993QX1A', '(3-beta,5-alpha,22E)-Stigmasta-7,22-dien-3-ol', 'Stigmasta-7,22-dien-3-ol, (3-beta,5-alpha,22E)-', 'delta7,22-STIGMASTAN-3beta-OL', '5alpha-Stigmasta-7,22-dien-3beta-ol', 'a-Spinasterol', 'CHEMBL487783', 'CHEBI:10333', 'Stigmasta-7,22E-dien-3beta-ol', '(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol', '24R-ethyl-5alpha-cholesta-7,22E-dien-3beta-ol', '.alpha.-Spinasterol', 'Spinosterol', 'Stigmasta-7,22-dien-3-ol, (3b,5a,22E)-', '.ALPHA.-SPINASTERIN', 'SCHEMBL232490', '.ALPHA.-SPINASTEROL [MI]', '17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol', 'HY-N6962', 'MSK13004', 'BDBM50275507', 'LMST01040126', 'AKOS024458312', 'FS74056', '5-alpha-stigmasta-7,22-diene-3beta-ol', '1ST13004', 'DA-70728', 'MS-27135', 'CS-0028716', '.DELTA.7,22-STIGMASTAN-3.BETA.-OL', 'C08840', 'F20840', '5.ALPHA.-STIGMASTA-7,22-DIEN-3.BETA.-OL', 'Q15269695', '5-.ALPHA.-STIGMASTA-7,22-DIEN-3-.BETA.-OL, (E)-', '(3-.BETA.,5-.ALPHA.,22E)-STIGMASTA-7,22-DIEN-3-OL', 'STIGMASTA-7,22-DIEN-3-OL, (3-.BETA.,5-.ALPHA.,22E)-'] |
From Pubchem