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

Systemtic Name: (4aS,6aR,6aR,6bR,10R,12aR)-2,2,6b,9,9,12a-hexamethyl-10-oxidanyl-6a-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Openeye Name: (4aS,6aR,6aR,6bR,10R,12aR)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-6a-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid CAS Name: (4aS,6aR,6aR,6bR,10R,12aR)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-6a-[[(E)-1-oxo-3-phenylprop-2-enoxy]methyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid IUPAC Name: (4aS,6aR,6aR,6bR,10R,12aR)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-6a-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Traditional Name: (4aS,6aR,6aR,6bR,10R,12aR)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-6a-[[(E)-3-phenylacryloyl]oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Formula: C39H54O5 MolecularWeight: 602.84306

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)COC(=O)C=CC6=CC=CC=C6)C(=O)O)C

Isomeric SMILES

C[C@]12CC[C@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)COC(=O)/C=C/C6=CC=CC=C6)C)(C)C)O

InChI

InChI=1S/C39H54O5/c1-34(2)20-21-38(33(42)43)22-23-39(25-44-32(41)15-12-26-10-8-7-9-11-26)27(28(38)24-34)13-14-30-36(5)18-17-31(40)35(3,4)29(36)16-19-37(30,39)6/h7-13,15,28-31,40H,14,16-25H2,1-6H3,(H,42,43)/b15-12+/t28?,29?,30-,31-,36+,37-,38+,39+/m1/s1