[(8R,9S,10R,13S,14S,16S,17R)-17-ethanoyl-10,13,16-trimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate

Systemtic Name: [(8R,9S,10R,13S,14S,16S,17R)-17-ethanoyl-10,13,16-trimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate Openeye Name: [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate CAS Name: pentanoic acid [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate Traditional Name: valeric acid [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-3-keto-10,13,16-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C27H38O4 MolecularWeight: 426.58822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1(C(CC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C)C)C(=O)C

Isomeric SMILES

CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C)C)C(=O)C

InChI

InChI=1S/C27H38O4/c1-6-7-8-24(30)31-27(18(3)28)17(2)15-23-21-10-9-19-16-20(29)11-13-25(19,4)22(21)12-14-26(23,27)5/h9-10,16-17,21-23H,6-8,11-15H2,1-5H3/t17-,21+,22-,23-,25-,26-,27-/m0/s1