2D Structure | |
CID | 13847199 |
Target | / |
IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,4S)-4-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(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h8,19-21,23-27,30H,7,9-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
InChI Key | WVNIISADYSWCOG-FBZNIEFRSA-N |
Canonical SMILES | CCC(CC(C)C)CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
Isomeric SMILES | CC[C@H](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)CC(C)C |
Molecular Formula | C29H50O |
Molecular Weight | 414.7 |
synonyms | ['SCHEMBL5002526', '23-ethyl-(3beta-23s)-cholest-5-en-3-ol'] |
From Pubchem