(8R,9S,13S,14S)-13-methyl-2,3,4-tris(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Systemtic Name: (8R,9S,13S,14S)-13-methyl-2,3,4-tris(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Openeye Name: (8R,9S,13S,14S)-2,3,4-trihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one CAS Name: (8R,9S,13S,14S)-2,3,4-trihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one IUPAC Name: (8R,9S,13S,14S)-2,3,4-trihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Traditional Name: (8R,9S,13S,14S)-2,3,4-trihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CCC4=C(C(=C(C=C34)O)O)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=C(C=C34)O)O)O

InChI

InChI=1S/C18H22O4/c1-18-7-6-9-10(13(18)4-5-15(18)20)2-3-11-12(9)8-14(19)17(22)16(11)21/h8-10,13,19,21-22H,2-7H2,1H3/t9-,10+,13-,18-/m0/s1