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

Systemtic Name: sodium [5-[1,2-bis(oxidanyl)ethyl]-2,4-bis(oxidanylidene)oxolan-3-yl] [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate Openeye Name: sodium [5-(1,2-dihydroxyethyl)-2,4-dioxo-tetrahydrofuran-3-yl] [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate CAS Name: sodium carbonic acid [5-(1,2-dihydroxyethyl)-2,4-dioxo-3-oxolanyl] [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: sodium [5-(1,2-dihydroxyethyl)-2,4-dioxooxolan-3-yl] [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate Traditional Name: sodium carbonic acid [5-(1,2-dihydroxyethyl)-2,4-diketo-tetrahydrofuran-3-yl] [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C35H56NaO8+ MolecularWeight: 627.80411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)OC5C(=O)C(OC5=O)C(CO)O)C)C.[Na+]

Isomeric SMILES

C[C@@H](CCC(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)OC5C(=O)C(OC5=O)C(CO)O)C)C.[Na+]

InChI

InChI=1S/C35H56O8.Na/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-34(22,5)27(24)14-16-35(25,26)6)41-33(40)43-31-29(38)30(28(37)18-36)42-32(31)39;/h19-28,30-31,36-37H,7-18H2,1-6H3;/q;+1/t20?,21-,22-,23-,24-,25+,26-,27-,28?,30?,31?,34-,35+;/m0./s1