[(5S,9R,10S,12R,13S,14S)-17-[(2R)-1,3-bis(oxidanylidene)butan-2-yl]-4,4,8-tris(deuteriomethyl)-10,13-dimethyl-2,3,5,6,7,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-12-yl] 3-oxidanylbutanoate

Systemtic Name: [(5S,9R,10S,12R,13S,14S)-17-[(2R)-1,3-bis(oxidanylidene)butan-2-yl]-4,4,8-tris(deuteriomethyl)-10,13-dimethyl-2,3,5,6,7,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-12-yl] 3-oxidanylbutanoate Openeye Name: [(5S,9R,10S,12R,13S,14S)-4,4,8-tris(deuteriomethyl)-17-[(1R)-1-formyl-2-oxo-propyl]-10,13-dimethyl-2,3,5,6,7,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-12-yl] 3-hydroxybutanoate CAS Name: 3-hydroxybutanoic acid [(5S,9R,10S,12R,13S,14S)-4,4,8-tris(deuteriomethyl)-17-[(2R)-1,3-dioxobutan-2-yl]-10,13-dimethyl-2,3,5,6,7,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-12-yl] ester IUPAC Name: [(5S,9R,10S,12R,13S,14S)-4,4,8-tris(deuteriomethyl)-17-[(2R)-1,3-dioxobutan-2-yl]-10,13-dimethyl-2,3,5,6,7,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-12-yl] 3-hydroxybutanoate Traditional Name: 3-hydroxybutyric acid [(5S,9R,10S,12R,13S,14S)-4,4,8-tris(deuteriomethyl)-17-[(1R)-1-formyl-2-keto-propyl]-10,13-dimethyl-2,3,5,6,7,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-12-yl] ester Formula: C30H46O5 MolecularWeight: 489.701725

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1CC2C3(CCCC(C3CCC2(C4C1(C(=CC4)C(C=O)C(=O)C)C)C)(C)C)C)O

Isomeric SMILES

[2H]CC1(CCC[C@]2([C@H]1CCC3([C@@H]2C[C@H]([C@]4([C@H]3CC=C4[C@H](C=O)C(=O)C)C)OC(=O)CC(C)O)C[2H])C)C[2H]

InChI

InChI=1S/C30H46O5/c1-18(32)15-26(34)35-25-16-24-28(5)13-8-12-27(3,4)22(28)11-14-29(24,6)23-10-9-21(30(23,25)7)20(17-31)19(2)33/h9,17-18,20,22-25,32H,8,10-16H2,1-7H3/t18?,20-,22+,23+,24-,25-,28+,29?,30-/m1/s1/i3D,4D,6D