3-[5,6,8a-trimethyl-5-[[3-methyl-2,5-bis(oxidanyl)phenyl]methyl]-2-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]propanoic acid

Systemtic Name: 3-[5,6,8a-trimethyl-5-[[3-methyl-2,5-bis(oxidanyl)phenyl]methyl]-2-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]propanoic acid Openeye Name: 3-[5-[(2,5-dihydroxy-3-methyl-phenyl)methyl]-2-isopropyl-5,6,8a-trimethyl-decalin-1-yl]propanoic acid CAS Name: 3-[5-[(2,5-dihydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]propanoic acid IUPAC Name: 3-[5-[(2,5-dihydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]propanoic acid Traditional Name: 3-[5-(2,5-dihydroxy-3-methyl-benzyl)-2-isopropyl-5,6,8a-trimethyl-decalin-1-yl]propionic acid Formula: C27H42O4 MolecularWeight: 430.61998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(C(C1(C)CC3=C(C(=CC(=C3)O)C)O)CCC(C2CCC(=O)O)C(C)C)C

Isomeric SMILES

CC1CCC2(C(C1(C)CC3=C(C(=CC(=C3)O)C)O)CCC(C2CCC(=O)O)C(C)C)C

InChI

InChI=1S/C27H42O4/c1-16(2)21-7-9-23-26(5,22(21)8-10-24(29)30)12-11-18(4)27(23,6)15-19-14-20(28)13-17(3)25(19)31/h13-14,16,18,21-23,28,31H,7-12,15H2,1-6H3,(H,29,30)