5-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(5-carboxythiophen-2-yl)carbonyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(5-carboxythiophen-2-yl)carbonyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]thiophene-2-carboxylic acid Openeye Name: 5-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(5-carboxythiophene-2-carbonyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]thiophene-2-carboxylic acid CAS Name: 5-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-[(5-carboxy-2-thiophenyl)-oxomethoxy]-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxy-oxomethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(5-carboxythiophene-2-carbonyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(5-carboxythiophene-2-carbonyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]-2-thenoic acid Formula: C42H52O8S2 MolecularWeight: 748.98748

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1OC(=O)C4=CC=C(S4)C(=O)O)C)C=CC5=C6CC(CCC6(CCC53C)C)(C)COC(=O)C7=CC=C(S7)C(=O)O)C)C

Isomeric SMILES

C[C@]12CC[C@](CC1=C3C=C[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=C(S6)C(=O)O)C)(C)COC(=O)C7=CC=C(S7)C(=O)O

InChI

InChI=1S/C42H52O8S2/c1-37(2)30-14-17-42(7)31(40(30,5)16-15-32(37)50-36(48)29-12-10-27(52-29)34(45)46)13-8-24-25-22-38(3,18-19-39(25,4)20-21-41(24,42)6)23-49-35(47)28-11-9-26(51-28)33(43)44/h8-13,30-32H,14-23H2,1-7H3,(H,43,44)(H,45,46)/t30-,31+,32-,38-,39+,40-,41+,42+/m0/s1