(1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-1,10-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Systemtic Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-1,10-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Openeye Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-1,10-dihydroxy-9-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid CAS Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-1,10-dihydroxy-9-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid IUPAC Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-1,10-dihydroxy-9-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Traditional Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-1,10-dihydroxy-9-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Formula: C40H56O8 MolecularWeight: 664.86784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)COC(=O)C=CC6=CC(=C(C=C6)O)OC)O)C)C)C2C1(C)O)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)COC(=O)/C=C/C6=CC(=C(C=C6)O)OC)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O

InChI

InChI=1S/C40H56O8/c1-24-14-19-40(34(44)45)21-20-37(4)26(33(40)39(24,6)46)10-12-30-35(2)17-16-31(42)36(3,29(35)15-18-38(30,37)5)23-48-32(43)13-9-25-8-11-27(41)28(22-25)47-7/h8-11,13,22,24,29-31,33,41-42,46H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,29-,30-,31+,33-,35+,36-,37-,38-,39-,40+/m1/s1