5-[(5R,8R,10S,11R,13R,14R,17R)-10,13-dimethyl-11,14-bis(oxidanyl)-3-oxidanylidene-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

Systemtic Name: 5-[(5R,8R,10S,11R,13R,14R,17R)-10,13-dimethyl-11,14-bis(oxidanyl)-3-oxidanylidene-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one Openeye Name: 5-[(5R,8R,10S,11R,13R,14R,17R)-11,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one CAS Name: 5-[(5R,8R,10S,11R,13R,14R,17R)-11,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pyranone IUPAC Name: 5-[(5R,8R,10S,11R,13R,14R,17R)-11,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one Traditional Name: 5-[(5R,8R,10S,11R,13R,14R,17R)-11,14-dihydroxy-3-keto-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one Formula: C24H32O5 MolecularWeight: 400.50788

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)CC1CCC3C2C(CC4(C3(CCC4C5=COC(=O)C=C5)O)C)O

Isomeric SMILES

C[C@]12CCC(=O)C[C@H]1CC[C@@H]3C2[C@@H](C[C@]4([C@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O

InChI

InChI=1S/C24H32O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15,17-19,21,26,28H,4-5,7-12H2,1-2H3/t15-,17-,18-,19-,21?,22+,23-,24-/m1/s1