[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] dihydrogen phosphate

Systemtic Name: [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] dihydrogen phosphate Openeye Name: [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] dihydrogen phosphate CAS Name: [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] dihydrogen phosphate IUPAC Name: [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] dihydrogen phosphate Traditional Name: [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] dihydrogen phosphate Formula: C22H29O8P MolecularWeight: 452.434621

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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

Isomeric SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2([C@]1(C(=O)COP(=O)(O)O)O)C)C

InChI

InChI=1S/C22H29O8P/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)/t12?,15?,16?,19?,20?,21?,22-/m0/s1