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

Systemtic Name: (4aS,6bR,10S,12R,12aR,14aS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6b,9,9,12a,14a-heptamethyl-12-oxidanyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid Openeye Name: (4aS,6bR,10S,12R,12aR,14aS)-12-hydroxy-10-[(E)-3-(4-hydroxyphenyl)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,6bR,10S,12R,12aR,14aS)-12-hydroxy-10-[(E)-3-(4-hydroxyphenyl)-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,6bR,10S,12R,12aR,14aS)-12-hydroxy-10-[(E)-3-(4-hydroxyphenyl)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,6bR,10S,12R,12aR,14aS)-12-hydroxy-10-[(E)-3-(4-hydroxyphenyl)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(CC(C5(C4CCC3(C2C1)C)C)O)OC(=O)C=CC6=CC=C(C=C6)O)(C)C)C)C(=O)O)C

Isomeric SMILES

C[C@@]12CCC3[C@@](C1CC[C@@]4(C2=CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)([C@@H](C[C@@H](C3(C)C)OC(=O)/C=C/C6=CC=C(C=C6)O)O)C

InChI

InChI=1S/C39H54O6/c1-34(2)20-21-39(33(43)44)19-16-27-36(5)17-14-26-35(3,4)31(45-32(42)13-10-24-8-11-25(40)12-9-24)22-30(41)38(26,7)28(36)15-18-37(27,6)29(39)23-34/h8-13,16,26,28-31,40-41H,14-15,17-23H2,1-7H3,(H,43,44)/b13-10+/t26?,28?,29?,30-,31+,36+,37-,38+,39-/m1/s1