1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4,5-dimethyl-hex-4-en-1-one

Systemtic Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4,5-dimethyl-hex-4-en-1-one Openeye Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-tetrahydropyran-2-yloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4,5-dimethyl-hex-4-en-1-one CAS Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(2-oxanyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4,5-dimethyl-4-hexen-1-one IUPAC Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4,5-dimethylhex-4-en-1-one Traditional Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-tetrahydropyran-2-yloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4,5-dimethyl-hex-4-en-1-one Formula: C32H52O3 MolecularWeight: 484.75348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)CCC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5CCCCO5)C)C)C

Isomeric SMILES

CC(=C(C)CCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC5CCCCO5)C)C)C

InChI

InChI=1S/C32H52O3/c1-21(2)22(3)9-14-29(33)28-13-12-26-25-11-10-23-20-24(35-30-8-6-7-19-34-30)15-17-31(23,4)27(25)16-18-32(26,28)5/h23-28,30H,6-20H2,1-5H3/t23-,24-,25-,26-,27-,28+,30?,31-,32-/m0/s1