disodium [2-oxidanylidene-2-[(17R)-10,13,16-trimethyl-17-oxidanyl-3,11-bis(oxidanylidene)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] phosphate

Systemtic Name: disodium [2-oxidanylidene-2-[(17R)-10,13,16-trimethyl-17-oxidanyl-3,11-bis(oxidanylidene)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] phosphate Openeye Name: disodium [2-[(17R)-17-hydroxy-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] phosphate CAS Name: disodium [2-[(17R)-17-hydroxy-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate IUPAC Name: disodium [2-[(17R)-17-hydroxy-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate Traditional Name: disodium [2-[(17R)-17-hydroxy-3,11-diketo-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] phosphate Formula: C22H27Na2O8P MolecularWeight: 496.398281

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)C.[Na+].[Na+]

Isomeric SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)C.[Na+].[Na+]

InChI

InChI=1S/C22H29O8P.2Na/c1-12-8-16-15-5-4-13-9-14(23)6-7-20(13,2)19(15)17(24)10-21(16,3)22(12,26)18(25)11-30-31(27,28)29;;/h6-7,9,12,15-16,19,26H,4-5,8,10-11H2,1-3H3,(H2,27,28,29);;/q;2*+1/p-2/t12?,15?,16?,19?,20?,21?,22-;;/m0../s1