1-[(3S,8S,9S,10R,13S,14S,17S)-3-[methoxy(oxidanyl)phosphinothioyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Systemtic Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-[methoxy(oxidanyl)phosphinothioyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Openeye Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-[hydroxy(methoxy)phosphinothioyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone CAS Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-[hydroxy(methoxy)phosphinothioyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone IUPAC Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-[hydroxy(methoxy)phosphinothioyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Traditional Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-[hydroxy(methoxy)thiophosphoryl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Formula: C22H35O4PS MolecularWeight: 426.549661

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OP(=S)(O)OC)C)C

Isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OP(=S)(O)OC)C)C

InChI

InChI=1S/C22H35O4PS/c1-14(23)18-7-8-19-17-6-5-15-13-16(26-27(24,28)25-4)9-11-21(15,2)20(17)10-12-22(18,19)3/h5,16-20H,6-13H2,1-4H3,(H,24,28)/t16-,17-,18+,19-,20-,21-,22+,27?/m0/s1