[(5R)-5-[1,2-bis(oxidanyl)ethyl]-2,4-bis(oxidanylidene)oxolan-3-yl] [(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate

Systemtic Name: [(5R)-5-[1,2-bis(oxidanyl)ethyl]-2,4-bis(oxidanylidene)oxolan-3-yl] [(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate Openeye Name: [(5R)-5-(1,2-dihydroxyethyl)-2,4-dioxo-tetrahydrofuran-3-yl] [(3S,10R,13R,17R)-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate CAS Name: [(5R)-5-(1,2-dihydroxyethyl)-2,4-dioxo-3-oxolanyl] [(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate IUPAC Name: [(5R)-5-(1,2-dihydroxyethyl)-2,4-dioxooxolan-3-yl] [(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate Traditional Name: [(5R)-5-(1,2-dihydroxyethyl)-2,4-diketo-tetrahydrofuran-3-yl] [(3S,10R,13R,17R)-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate Formula: C33H53O9P MolecularWeight: 624.742281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OP(=O)(O)OC5C(=O)C(OC5=O)C(CO)O)C)C

Isomeric SMILES

CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OP(=O)(O)OC5C(=O)[C@H](OC5=O)C(CO)O)C)C

InChI

InChI=1S/C33H53O9P/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)41-43(38,39)42-30-28(36)29(27(35)18-34)40-31(30)37/h9,19-20,22-27,29-30,34-35H,6-8,10-18H2,1-5H3,(H,38,39)/t20?,22-,23?,24+,25?,26?,27?,29+,30?,32-,33+/m0/s1