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

Systemtic Name: (2R,6aR,6bR,10R,12aR)-4-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-10-oxidanyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-6a-carboxylic acid Openeye Name: (2R,6aR,6bR,10R,12aR)-10-hydroxy-4-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-6a-carboxylic acid CAS Name: (2R,6aR,6bR,10R,12aR)-10-hydroxy-4-[[(Z)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-6a-carboxylic acid IUPAC Name: (2R,6aR,6bR,10R,12aR)-10-hydroxy-4-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-6a-carboxylic acid Traditional Name: (2R,6aR,6bR,10R,12aR)-10-hydroxy-4-[[(Z)-3-(4-hydroxyphenyl)acryloyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-6a-carboxylic acid Formula: C39H54O6 MolecularWeight: 618.84246

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C(=O)O)COC(=O)C=CC6=CC=C(C=C6)O

Isomeric SMILES

C[C@@H]1CC(C2CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@H](C5(C)C)O)C)C)C2C1C)C(=O)O)COC(=O)/C=C\C6=CC=C(C=C6)O

InChI

InChI=1S/C39H54O6/c1-23-21-26(22-45-33(42)14-9-25-7-10-27(40)11-8-25)28-15-20-39(35(43)44)29(34(28)24(23)2)12-13-31-37(5)18-17-32(41)36(3,4)30(37)16-19-38(31,39)6/h7-12,14,23-24,26,28,30-32,34,40-41H,13,15-22H2,1-6H3,(H,43,44)/b14-9-/t23-,24?,26?,28?,30?,31?,32-,34?,37+,38-,39-/m1/s1