O2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-bis(oxidanylidene)oxolan-3-yl] O1-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5-ethyl-6-methyl-heptan-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] ethanedioate

Systemtic Name: O2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-bis(oxidanylidene)oxolan-3-yl] O1-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5-ethyl-6-methyl-heptan-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] ethanedioate Openeye Name: O2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-dioxo-tetrahydrofuran-3-yl] O1-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] oxalate CAS Name: oxalic acid O2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-dioxo-3-oxolanyl] ester O1-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5-ethyl-6-methylheptan-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: 2-O-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-dioxooxolan-3-yl] 1-O-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5-ethyl-6-methylheptan-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] oxalate Traditional Name: oxalic acid O2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-diketo-tetrahydrofuran-3-yl] ester O1-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1S)-4-ethyl-1,5-dimethyl-hexyl]-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 Formula: C40H62O9 MolecularWeight: 686.91488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C(=O)OC5C(=O)C(OC5=O)C6COC(O6)(C)C)C)C)C(C)C

Isomeric SMILES

CCC(CC[C@H](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)C(=O)OC5C(=O)C(OC5=O)C6COC(O6)(C)C)C)C)C(C)C

InChI

InChI=1S/C40H62O9/c1-9-24(22(2)3)11-10-23(4)28-14-15-29-27-13-12-25-20-26(16-18-39(25,7)30(27)17-19-40(28,29)8)46-36(43)37(44)48-34-32(41)33(47-35(34)42)31-21-45-38(5,6)49-31/h22-31,33-34H,9-21H2,1-8H3/t23-,24?,25-,26-,27-,28+,29-,30-,31?,33?,34?,39-,40+/m0/s1