[(3R,3aS,4S,7S,8aR)-3,7-Dihydroxy-8alpha-Methyl-6-Methylidene-3-Propan-2-Yl-2,3A,4,5,7,8-Hexahydro-1H-Azulen-4-Yl] 4-Hydroxybenzoate
[CAS# 109517-72-8]

Identification

• Name: [(3R,3aS,4S,7S,8aR)-3,7-Dihydroxy-8alpha-Methyl-6-Methylidene-3-Propan-2-Yl-2,3A,4,5,7,8-Hexahydro-1H-Azulen-4-Yl] 4-Hydroxybenzoate
• Synonyms: [(3R,3As,4S,7S,8Ar)-3,7-Dihydroxy-3-Isopropyl-8A-Methyl-6-Methylene-2,3A,4,5,7,8-Hexahydro-1H-Azulen-4-Yl] 4-Hydroxybenzoate; 4-Hydroxybenzoic Acid [(3R,3As,4S,7S,8Ar)-3,7-Dihydroxy-3-Isopropyl-8A-Methyl-6-Methylene-2,3A,4,5,7,8-Hexahydro-1H-Azulen-4-Yl] Ester
• Molecular Formula: C₂₂H₃₀O₅
• Molecular Weight: 374.48
• CAS Registry Number: 109517-72-8
• SMILES: [C@H]12[C@@](O)(CC[C@@]1(C[C@H](O)C(C[C@@H]2OC(=O)C3=CC=C(O)C=C3)=C)C)C(C)C
• InChI: 1S/C22H30O5/c1-13(2)22(26)10-9-21(4)12-17(24)14(3)11-18(19(21)22)27-20(25)15-5-7-16(23)8-6-15/h5-8,13,17-19,23-24,26H,3,9-12H2,1-2,4H3/t17-,18-,19+,21+,22+/m0/s1
• InChIKey: KZSXMCLSPHIQCN-JIWOIOHBSA-N