(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,2,6a,6b,9,12a-hexamethyl-10-oxidanyl-9-(sulfooxymethyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Systemtic Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,2,6a,6b,9,12a-hexamethyl-10-oxidanyl-9-(sulfooxymethyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Openeye Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,12a-hexamethyl-9-(sulfooxymethyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid CAS Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,12a-hexamethyl-9-(sulfooxymethyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,12a-hexamethyl-9-(sulfooxymethyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Traditional Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,12a-hexamethyl-9-(sulfoxymethyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Formula: C30H48O7S MolecularWeight: 552.76292

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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)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1