(5R,9R,10R,13R,14S,17S)-10,13-dimethyl-14-oxidanyl-17-[(4R,5R)-2,2,4-trimethyl-5-(3-methyl-3-oxidanyl-butyl)-1,3-dioxolan-4-yl]-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione

Systemtic Name: (5R,9R,10R,13R,14S,17S)-10,13-dimethyl-14-oxidanyl-17-[(4R,5R)-2,2,4-trimethyl-5-(3-methyl-3-oxidanyl-butyl)-1,3-dioxolan-4-yl]-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione Openeye Name: (5R,9R,10R,13R,14S,17S)-14-hydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methyl-butyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione CAS Name: (5R,9R,10R,13R,14S,17S)-14-hydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione IUPAC Name: (5R,9R,10R,13R,14S,17S)-14-hydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione Traditional Name: (5R,9R,10R,13R,14S,17S)-14-hydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methyl-butyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-quinone Formula: C30H46O6 MolecularWeight: 502.68264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)(C)C2CCC3(C2(CCC4C3=CC(=O)C5C4(CCC(=O)C5)C)C)O)CCC(C)(C)O)C

Isomeric SMILES

C[C@]12CCC(=O)C[C@H]1C(=O)C=C3[C@@H]2CC[C@]4([C@]3(CC[C@@H]4[C@@]5([C@H](OC(O5)(C)C)CCC(C)(C)O)C)O)C

InChI

InChI=1S/C30H46O6/c1-25(2,33)12-11-24-29(7,36-26(3,4)35-24)23-10-15-30(34)20-17-22(32)21-16-18(31)8-13-27(21,5)19(20)9-14-28(23,30)6/h17,19,21,23-24,33-34H,8-16H2,1-7H3/t19-,21-,23-,24+,27+,28+,29+,30+/m0/s1