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disodium [(2R)-2-[2-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxidanylidene-oxan-4-yl] [2-[1,2-bis(oxidanyl)ethyl]-4-[[(5S,8R,9S,10S,13R,14S)-17-[(2R,5R)-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]oxy-oxidanidyl-phosphoryl]oxy-5-oxidanylidene-2H-furan-3-yl] phosphate

Systemtic Name:	disodium [(2R)-2-[2-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxidanylidene-oxan-4-yl] [2-[1,2-bis(oxidanyl)ethyl]-4-[[(5S,8R,9S,10S,13R,14S)-17-[(2R,5R)-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]oxy-oxidanidyl-phosphoryl]oxy-5-oxidanylidene-2H-furan-3-yl] phosphate
Openeye Name:	disodium [(2R)-2-[2-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxo-tetrahydropyran-4-yl] [2-(1,2-dihydroxyethyl)-4-[[(5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(1R,4R)-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]oxy-oxido-phosphoryl]oxy-5-oxo-2H-furan-3-yl] phosphate
CAS Name:	disodium [(2R)-2-[2-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethyl-1-oxobutoxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxo-4-oxanyl] [2-(1,2-dihydroxyethyl)-4-[[(5S,8R,9S,10S,13R,14S)-17-[(2R,5R)-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]oxy-oxidophosphoryl]oxy-5-oxo-2H-furan-3-yl] phosphate
IUPAC Name:	disodium [(2R)-2-[2-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxooxan-4-yl] [2-(1,2-dihydroxyethyl)-4-[[(5S,8R,9S,10S,13R,14S)-17-[(2R,5R)-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]oxy-oxidophosphoryl]oxy-5-oxo-2H-furan-3-yl] phosphate
Traditional Name:	disodium [(2R)-2-[2-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-keto-tetrahydropyran-4-yl] [2-(1,2-dihydroxyethyl)-4-[[(5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(1R,4R)-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]oxy-oxido-phosphoryl]oxy-5-keto-2H-furan-3-yl] phosphate
Formula:	C₅₉H₉₂Na₂O₁₆P₂
MolecularWeight:	1165.279242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)OP(=O)([O-])OC4=C(C(=O)OC4C(CO)O)OP(=O)([O-])OC5CCC6(C(C5)CCC7C6CCC8(C7CCC8C(C)CCC(C)C(C)C)C)C)C.[Na+].[Na+]

Isomeric SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3CC(CC(=O)O3)OP(=O)([O-])OC4=C(C(=O)OC4C(CO)O)OP(=O)([O-])OC5CC[C@]6([C@H](C5)CC[C@@H]7[C@@H]6CC[C@]8([C@H]7CCC8[C@H](C)CC[C@@H](C)C(C)C)C)C)C.[Na+].[Na+]

InChI

InChI=1S/C59H94O16P2.2Na/c1-12-57(8,9)56(64)70-49-28-34(4)27-38-16-15-36(6)43(51(38)49)20-18-40-30-42(31-50(62)69-40)73-77(67,68)74-53-52(48(61)32-60)71-55(63)54(53)75-76(65,66)72-41-23-25-58(10)39(29-41)17-19-44-46-22-21-45(59(46,11)26-24-47(44)58)37(7)14-13-35(5)33(2)3;;/h15-16,27,33-37,39-49,51-52,60-61H,12-14,17-26,28-32H2,1-11H3,(H,65,66)(H,67,68);;/q;2*+1/p-2/t34-,35+,36-,37+,39-,40+,41?,42?,43-,44-,45?,46-,47-,48?,49-,51-,52?,58-,59+;;/m0../s1

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