[(3S,4R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-carboxy-4,6a,6b,11,12,14b-hexamethyl-3-oxidanyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-4-yl]methyl sulfate

Systemtic Name: [(3S,4R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-carboxy-4,6a,6b,11,12,14b-hexamethyl-3-oxidanyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-4-yl]methyl sulfate Openeye Name: [(3S,4R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-carboxy-3-hydroxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-4-yl]methyl sulfate CAS Name: [(3S,4R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-carboxy-3-hydroxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-4-yl]methyl sulfate IUPAC Name: [(3S,4R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-carboxy-3-hydroxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-4-yl]methyl sulfate Traditional Name: [(3S,4R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-carboxy-3-hydroxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-4-yl]methyl sulfate Formula: C30H47O7S- MolecularWeight: 551.75498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)COS(=O)(=O)[O-])O)C)C)C2C1C)C)C(=O)O

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)COS(=O)(=O)[O-])O)C)C)[C@@H]2[C@H]1C)C)C(=O)O

InChI

InChI=1S/C30H48O7S/c1-18-9-14-30(25(32)33)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(31)27(4,17-37-38(34,35)36)21(26)10-13-29(22,28)6/h7,18-19,21-24,31H,8-17H2,1-6H3,(H,32,33)(H,34,35,36)/p-1/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1