(4R,4aS,6aS,6bR,8aR,13S,14aS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-13-oxidanyl-1,2,4,5,6,6a,8,9,10,12,12a,13,14,14b-tetradecahydropicene-3,7-dione

Systemtic Name: (4R,4aS,6aS,6bR,8aR,13S,14aS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-13-oxidanyl-1,2,4,5,6,6a,8,9,10,12,12a,13,14,14b-tetradecahydropicene-3,7-dione Openeye Name: (4R,4aS,6aS,6bR,8aR,13S,14aS)-13-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6,6a,8,9,10,12,12a,13,14,14b-tetradecahydropicene-3,7-dione CAS Name: (4R,4aS,6aS,6bR,8aR,13S,14aS)-13-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6,6a,8,9,10,12,12a,13,14,14b-tetradecahydropicene-3,7-dione IUPAC Name: (4R,4aS,6aS,6bR,8aR,13S,14aS)-13-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6,6a,8,9,10,12,12a,13,14,14b-tetradecahydropicene-3,7-dione Traditional Name: (4R,4aS,6aS,6bR,8aR,13S,14aS)-13-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6,6a,8,9,10,12,12a,13,14,14b-tetradecahydropicene-3,7-quinone Formula: C30H48O3 MolecularWeight: 456.70032

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)CCC2C1(CCC3C2(CC(C4(C3(C(=O)CC5(C4CC(CC5)(C)C)C)C)C)O)C)C

Isomeric SMILES

C[C@H]1C(=O)CCC2[C@@]1(CCC3[C@]2(C[C@@H]([C@@]4([C@@]3(C(=O)C[C@@]5(C4CC(CC5)(C)C)C)C)C)O)C)C

InChI

InChI=1S/C30H48O3/c1-18-19(31)9-10-20-27(18,5)12-11-21-28(20,6)17-24(33)30(8)22-15-25(2,3)13-14-26(22,4)16-23(32)29(21,30)7/h18,20-22,24,33H,9-17H2,1-8H3/t18-,20?,21?,22?,24-,26+,27+,28-,29-,30+/m0/s1