(8S,9S,10R,13S,14S)-10,13-dimethyl-17-[2-[1,2,3,6-tetrakis(oxidanyl)-4-oxidanylidene-hexoxy]ethanoyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (8S,9S,10R,13S,14S)-10,13-dimethyl-17-[2-[1,2,3,6-tetrakis(oxidanyl)-4-oxidanylidene-hexoxy]ethanoyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,9S,10R,13S,14S)-10,13-dimethyl-17-[2-(1,2,3,6-tetrahydroxy-4-oxo-hexoxy)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,9S,10R,13S,14S)-10,13-dimethyl-17-[1-oxo-2-(1,2,3,6-tetrahydroxy-4-oxohexoxy)ethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,9S,10R,13S,14S)-10,13-dimethyl-17-[2-(1,2,3,6-tetrahydroxy-4-oxohexoxy)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,9S,10R,13S,14S)-10,13-dimethyl-17-[2-(1,2,3,6-tetrahydroxy-4-keto-hexoxy)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C27H40O8 MolecularWeight: 492.6017

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(=O)COC(C(C(C(=O)CCO)O)O)O)CCC4=CC(=O)CCC34C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2C(=O)COC(C(C(C(=O)CCO)O)O)O)CCC4=CC(=O)CC[C@]34C

InChI

InChI=1S/C27H40O8/c1-26-10-7-16(29)13-15(26)3-4-17-18-5-6-20(27(18,2)11-8-19(17)26)22(31)14-35-25(34)24(33)23(32)21(30)9-12-28/h13,17-20,23-25,28,32-34H,3-12,14H2,1-2H3/t17-,18-,19-,20?,23?,24?,25?,26-,27-/m0/s1