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

Systemtic Name: (4aS,6aR,6bR,8aR,10R,12aR,14aS,14bS)-10-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid Openeye Name: (4aS,6aR,6bR,8aR,10R,12aR,14aS,14bS)-10-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid CAS Name: (4aS,6aR,6bR,8aR,10R,12aR,14aS,14bS)-10-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid IUPAC Name: (4aS,6aR,6bR,8aR,10R,12aR,14aS,14bS)-10-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid Traditional Name: (4aS,6aR,6bR,8aR,10R,12aR,14aS,14bS)-10-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid Formula: C39H54O6 MolecularWeight: 618.84246

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)(C)C)C)C(=O)O)C

Isomeric SMILES

C[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2CC[C@@]4(C3=CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)O

InChI

InChI=1S/C39H54O6/c1-34(2)20-21-39(33(43)44)19-14-29-37(6)16-12-27-35(3,4)31(45-32(42)11-9-24-8-10-25(40)26(41)22-24)15-18-36(27,5)28(37)13-17-38(29,7)30(39)23-34/h8-11,14,22,27-28,30-31,40-41H,12-13,15-21,23H2,1-7H3,(H,43,44)/b11-9+/t27-,28+,30-,31+,36-,37+,38+,39+/m0/s1