(3S,5S,8R,9S,10R,13R,14S,17R)-1-ethanoyl-13-methyl-3,5,14-tris(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Systemtic Name: (3S,5S,8R,9S,10R,13R,14S,17R)-1-ethanoyl-13-methyl-3,5,14-tris(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Openeye Name: (3S,5S,8R,9S,10R,13R,14S,17R)-1-acetyl-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde CAS Name: (3S,5S,8R,9S,10R,13R,14S,17R)-1-acetyl-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde IUPAC Name: (3S,5S,8R,9S,10R,13R,14S,17R)-1-acetyl-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Traditional Name: (3S,5S,8R,9S,10R,13R,14S,17R)-1-acetyl-3,5,14-trihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Formula: C25H34O7 MolecularWeight: 446.53326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(CC2(C1(C3CCC4(C(CCC4(C3CC2)O)C5=CC(=O)OC5)C)C=O)O)O

Isomeric SMILES

CC(=O)C1C[C@@H](C[C@@]2([C@]1([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC2)O)C5=CC(=O)OC5)C)C=O)O)O

InChI

InChI=1S/C25H34O7/c1-14(27)20-10-16(28)11-23(30)7-4-19-18(24(20,23)13-26)3-6-22(2)17(5-8-25(19,22)31)15-9-21(29)32-12-15/h9,13,16-20,28,30-31H,3-8,10-12H2,1-2H3/t16-,17+,18-,19+,20?,22+,23-,24-,25-/m0/s1