disodium; 1-(10,13-dimethyl-3-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-5-id-17-yl)-2-oxidanyl-ethanone; hydrogen phosphate

Systemtic Name: disodium; 1-(10,13-dimethyl-3-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-5-id-17-yl)-2-oxidanyl-ethanone; hydrogen phosphate Openeye Name: disodium; hydrogen phosphate; 2-hydroxy-1-(3-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-5-id-17-yl)ethanone CAS Name: disodium; hydrogen phosphate; 2-hydroxy-1-(3-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-5-id-17-yl)ethanone IUPAC Name: disodium; hydrogen phosphate; 2-hydroxy-1-(3-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-5-id-17-yl)ethanone Traditional Name: disodium; hydrogen phosphate; 2-hydroxy-1-(3-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-5-id-17-yl)ethanone Formula: C21H33Na2O7P-2 MolecularWeight: 474.435821

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(=O)[CH-]O)CC[C-]4C3(CCC(C4)O)C.OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC12CCC3C(C1CCC2C(=O)[CH-]O)CC[C-]4C3(CCC(C4)O)C.OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C21H32O3.2Na.H3O4P/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20;;;1-5(2,3)4/h12,14-18,22-23H,3-11H2,1-2H3;;;(H3,1,2,3,4)/q-2;2*+1;/p-2