2-[[(2S,4aS,6aR,6bS,10S,12aS)-10-(2-carboxyphenyl)carbonyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid

Systemtic Name: 2-[[(2S,4aS,6aR,6bS,10S,12aS)-10-(2-carboxyphenyl)carbonyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid Openeye Name: 2-[[(2S,4aS,6aR,6bS,10S,12aS)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid CAS Name: 2-[[(2S,4aS,6aR,6bS,10S,12aS)-10-[(2-carboxyphenyl)-oxomethoxy]-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxy-oxomethyl]benzoic acid IUPAC Name: 2-[[(2S,4aS,6aR,6bS,10S,12aS)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid Traditional Name: 2-[[(2S,4aS,6aR,6bS,10S,12aS)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid Formula: C46H56O8 MolecularWeight: 736.93204

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(=CC=C4C3(CCC5(C4CC(CC5)(C)COC(=O)C6=CC=CC=C6C(=O)O)C)C)C2(CCC1OC(=O)C7=CC=CC=C7C(=O)O)C)C)C

Isomeric SMILES

C[C@]12CC[C@](CC1C3=CC=C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)O)C)(C)COC(=O)C7=CC=CC=C7C(=O)O

InChI

InChI=1S/C46H56O8/c1-41(2)34-18-21-46(7)35(44(34,5)20-19-36(41)54-40(52)31-15-11-9-13-29(31)38(49)50)17-16-32-33-26-42(3,22-23-43(33,4)24-25-45(32,46)6)27-53-39(51)30-14-10-8-12-28(30)37(47)48/h8-17,33-34,36H,18-27H2,1-7H3,(H,47,48)(H,49,50)/t33?,34?,36-,42-,43+,44-,45+,46+/m0/s1