(3S,5S,10S,13R,14S)-13-methyl-3,5,14-tris(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Systemtic Name: (3S,5S,10S,13R,14S)-13-methyl-3,5,14-tris(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Openeye Name: (3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde CAS Name: (3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde IUPAC Name: (3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Traditional Name: (3S,5S,10S,13R,14S)-3,5,14-trihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Formula: C23H30O6 MolecularWeight: 402.4807

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1(CC=C2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=O)O

Isomeric SMILES

C[C@]12CCC3C([C@]1(CC=C2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O

InChI

InChI=1S/C23H30O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h5,10,13,15,17-18,25,27-28H,2-4,6-9,11-12H2,1H3/t15-,17?,18?,20+,21-,22-,23-/m0/s1