(1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-6,9-diol

Systemtic Name: (1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-6,9-diol Openeye Name: (1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-6,9-diol CAS Name: (1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-6,9-diol IUPAC Name: (1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-6,9-diol Traditional Name: (1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-6,9-diol Formula: C30H50O2 MolecularWeight: 442.7168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CC(C4(C3(CC2)C)C)O)(C)C)O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-29(7)20(25(19)27)9-10-21-28(6)14-12-23(31)26(3,4)22(28)17-24(32)30(21,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23-,24-,25+,27+,28+,29+,30-/m0/s1