sodium [(3R,4R,5R,6S)-6-[(3S,6R)-6-[(3S,5S,6S,8S,9R,10S,13R,14S,15S,17R)-10,13-dimethyl-3,6,8,15-tetrakis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-yl]oxy-4-methoxy-5-oxidanyl-oxan-3-yl] sulfate

Systemtic Name: sodium [(3R,4R,5R,6S)-6-[(3S,6R)-6-[(3S,5S,6S,8S,9R,10S,13R,14S,15S,17R)-10,13-dimethyl-3,6,8,15-tetrakis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-yl]oxy-4-methoxy-5-oxidanyl-oxan-3-yl] sulfate Openeye Name: sodium [(3R,4R,5R,6S)-5-hydroxy-6-[(1S,4R)-1-isopropyl-4-[(3S,5S,6S,8S,9R,10S,13R,14S,15S,17R)-3,6,8,15-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentoxy]-4-methoxy-tetrahydropyran-3-yl] sulfate CAS Name: sodium [(3R,4R,5R,6S)-5-hydroxy-4-methoxy-6-[(3S,6R)-2-methyl-6-[(3S,5S,6S,8S,9R,10S,13R,14S,15S,17R)-3,6,8,15-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptan-3-yl]oxy-3-oxanyl] sulfate IUPAC Name: sodium [(3R,4R,5R,6S)-5-hydroxy-4-methoxy-6-[(3S,6R)-2-methyl-6-[(3S,5S,6S,8S,9R,10S,13R,14S,15S,17R)-3,6,8,15-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptan-3-yl]oxyoxan-3-yl] sulfate Traditional Name: sodium [(3R,4R,5R,6S)-5-hydroxy-6-[(1S,4R)-1-isopropyl-4-[(3S,5S,6S,8S,9R,10S,13R,14S,15S,17R)-3,6,8,15-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentoxy]-4-methoxy-tetrahydropyran-3-yl] sulfate Formula: C33H57NaO12S MolecularWeight: 700.85325

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)C1CC(C2C1(CCC3C2(CC(C4C3(CCC(C4)O)C)O)O)C)O)OC5C(C(C(CO5)OS(=O)(=O)[O-])OC)O.[Na+]

Isomeric SMILES

C[C@H](CC[C@@H](C(C)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)OS(=O)(=O)[O-])OC)O)[C@H]2C[C@@H]([C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5)O)C)O)O)C)O.[Na+]

InChI

InChI=1S/C33H58O12S.Na/c1-17(2)24(44-30-27(37)28(42-6)25(16-43-30)45-46(39,40)41)8-7-18(3)20-14-22(35)29-32(20,5)12-10-26-31(4)11-9-19(34)13-21(31)23(36)15-33(26,29)38;/h17-30,34-38H,7-16H2,1-6H3,(H,39,40,41);/q;+1/p-1/t18-,19+,20-,21-,22+,23+,24+,25-,26-,27-,28+,29-,30+,31+,32-,33+;/m1./s1