(1S,2R,4aS,6aS,6aR,6bR,8aR,10S,12aR,14bS)-4a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,9,9,12a-pentamethyl-10-oxidanyl-1,2,3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-hexadecahydropicene-6a-carboxylic acid

Systemtic Name: (1S,2R,4aS,6aS,6aR,6bR,8aR,10S,12aR,14bS)-4a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,9,9,12a-pentamethyl-10-oxidanyl-1,2,3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-hexadecahydropicene-6a-carboxylic acid Openeye Name: (1S,2R,4aS,6aS,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,9,9,12a-pentamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-hexadecahydropicene-6a-carboxylic acid CAS Name: (1S,2R,4aS,6aS,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-1,2,9,9,12a-pentamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-hexadecahydropicene-6a-carboxylic acid IUPAC Name: (1S,2R,4aS,6aS,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,9,9,12a-pentamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-hexadecahydropicene-6a-carboxylic acid Traditional Name: (1S,2R,4aS,6aS,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)acryloyl]oxymethyl]-1,2,9,9,12a-pentamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-hexadecahydropicene-6a-carboxylic acid Formula: C38H52O6 MolecularWeight: 604.81588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C4CCC5C(C(CCC5(C4CC=C3C2C1C)C)O)(C)C)C(=O)O)COC(=O)C=CC6=CC=C(C=C6)O

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@]3([C@@H]4CC[C@@H]5[C@@]([C@H]4CC=C3[C@@H]2[C@H]1C)(CC[C@@H](C5(C)C)O)C)C(=O)O)COC(=O)/C=C\C6=CC=C(C=C6)O

InChI

InChI=1S/C38H52O6/c1-23-16-19-37(22-44-32(41)15-8-25-6-9-26(39)10-7-25)20-21-38(34(42)43)28-13-14-30-35(3,4)31(40)17-18-36(30,5)27(28)11-12-29(38)33(37)24(23)2/h6-10,12,15,23-24,27-28,30-31,33,39-40H,11,13-14,16-22H2,1-5H3,(H,42,43)/b15-8-/t23-,24+,27+,28-,30+,31+,33+,36-,37-,38-/m1/s1