[(2S,3R,10R,13R,14S,17R)-10,13-dimethyl-17-[(3R)-6-methyl-3,6-bis(oxidanyl)heptan-2-yl]-2,14-bis(oxidanyl)-6-oxidanylidene-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate

Systemtic Name: [(2S,3R,10R,13R,14S,17R)-10,13-dimethyl-17-[(3R)-6-methyl-3,6-bis(oxidanyl)heptan-2-yl]-2,14-bis(oxidanyl)-6-oxidanylidene-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate Openeye Name: [(2S,3R,10R,13R,14S,17R)-17-[(2R)-2,5-dihydroxy-1,5-dimethyl-hexyl]-2,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate CAS Name: [(2S,3R,10R,13R,14S,17R)-17-[(3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate IUPAC Name: [(2S,3R,10R,13R,14S,17R)-17-[(3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate Traditional Name: [(2S,3R,10R,13R,14S,17R)-17-[(2R)-2,5-dihydroxy-1,5-dimethyl-hexyl]-2,14-dihydroxy-6-keto-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate Formula: C27H45O9P MolecularWeight: 544.614561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)OP(=O)(O)O)O)C)C)O)C(CCC(C)(C)O)O

Isomeric SMILES

CC([C@H]1CC[C@@]2([C@@]1(CCC3C2=CC(=O)C4[C@@]3(C[C@@H]([C@@H](C4)OP(=O)(O)O)O)C)C)O)[C@@H](CCC(C)(C)O)O

InChI

InChI=1S/C27H45O9P/c1-15(20(28)8-9-24(2,3)31)16-7-11-27(32)18-12-21(29)19-13-23(36-37(33,34)35)22(30)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-32H,6-11,13-14H2,1-5H3,(H2,33,34,35)/t15?,16-,17?,19?,20-,22+,23-,25-,26-,27-/m1/s1