(1R,3aS,5aS,5bR,9S,11aR,11bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol

Systemtic Name: (1R,3aS,5aS,5bR,9S,11aR,11bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol Openeye Name: (1R,3aS,5aS,5bR,9S,11aR,11bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol CAS Name: (1R,3aS,5aS,5bR,9S,11aR,11bR)-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol IUPAC Name: (1R,3aS,5aS,5bR,9S,11aR,11bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol Traditional Name: (1R,3aS,5aS,5bR,9S,11aR,11bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol Formula: C29H48O2 MolecularWeight: 428.69022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)O

Isomeric SMILES

CC(=C)[C@@H]1CC[C@]2(C1C3CC[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@]3(CC2)C)C)(C)C)O)C)O

InChI

InChI=1S/C29H48O2/c1-18(2)19-10-15-29(31)17-16-27(6)20(24(19)29)8-9-22-26(5)13-12-23(30)25(3,4)21(26)11-14-28(22,27)7/h19-24,30-31H,1,8-17H2,2-7H3/t19-,20?,21?,22+,23-,24?,26-,27-,28+,29-/m0/s1