(8S,9S,10R,13S,14S,17S)-17-(hydroxymethyl)-10,13-dimethyl-17-(3-oxidanylpropanoyl)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione

Systemtic Name: (8S,9S,10R,13S,14S,17S)-17-(hydroxymethyl)-10,13-dimethyl-17-(3-oxidanylpropanoyl)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione Openeye Name: (8S,9S,10R,13S,14S,17S)-17-(hydroxymethyl)-17-(3-hydroxypropanoyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione CAS Name: (8S,9S,10R,13S,14S,17S)-17-(hydroxymethyl)-17-(3-hydroxy-1-oxopropyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-(hydroxymethyl)-17-(3-hydroxypropanoyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione Traditional Name: (8S,9S,10R,13S,14S,17S)-17-(3-hydroxypropanoyl)-10,13-dimethyl-17-methylol-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-quinone Formula: C23H30O5 MolecularWeight: 386.4813

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=O)C3C(C1CCC2(CO)C(=O)CCO)CCC4=CC(=O)C=CC34C

Isomeric SMILES

C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@]2(CO)C(=O)CCO)CCC4=CC(=O)C=C[C@]34C

InChI

InChI=1S/C23H30O5/c1-21-8-5-15(26)11-14(21)3-4-16-17-6-9-23(13-25,19(28)7-10-24)22(17,2)12-18(27)20(16)21/h5,8,11,16-17,20,24-25H,3-4,6-7,9-10,12-13H2,1-2H3/t16-,17-,20+,21-,22-,23-/m0/s1