(8S,9S,10R,11S,13R,14S,17S)-13-(hydroxymethyl)-11-oxidanyl-17-(2-oxidanylethanoyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Systemtic Name: (8S,9S,10R,11S,13R,14S,17S)-13-(hydroxymethyl)-11-oxidanyl-17-(2-oxidanylethanoyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one Openeye Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one CAS Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-13-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one IUPAC Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one Traditional Name: (8S,9S,10R,11S,13R,14S,17S)-17-glycoloyl-11-hydroxy-13-methylol-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C20H28O5 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2(C1C3CCC4=CC(=O)CCC4C3C(C2)O)CO)C(=O)CO

Isomeric SMILES

C1C[C@@H]([C@@]2([C@@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@H](C2)O)CO)C(=O)CO

InChI

InChI=1S/C20H28O5/c21-9-18(25)16-6-5-15-14-3-1-11-7-12(23)2-4-13(11)19(14)17(24)8-20(15,16)10-22/h7,13-17,19,21-22,24H,1-6,8-10H2/t13-,14-,15-,16+,17-,19+,20+/m0/s1