(3S,5S,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-1-one

Systemtic Name: (3S,5S,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-1-one Openeye Name: (3S,5S,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-1-one CAS Name: (3S,5S,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-1-one IUPAC Name: (3S,5S,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-1-one Traditional Name: (3S,5S,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-1-one Formula: C28H48O2 MolecularWeight: 419.698005

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(C(=O)CC(C4)OC)C)C

Isomeric SMILES

[2H]C1[C@@H](C([C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(C1=O)C)C)[C@H](C)CCCC(C)C)([2H])[2H])OC

InChI

InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-20-16-21(30-6)17-26(29)28(20,5)25(22)14-15-27(23,24)4/h18-25H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24+,25+,27-,28+/m1/s1/i16D2,17D/t17?,19-,20+,21-,22+,23-,24+,25+,27-,28+