[(3R,3aS,4S,7S,8aR)-8a-methyl-6-methylidene-3,7-bis(oxidanyl)-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-oxidanylbenzoate

Systemtic Name: [(3R,3aS,4S,7S,8aR)-8a-methyl-6-methylidene-3,7-bis(oxidanyl)-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-oxidanylbenzoate Openeye Name: [(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 CAS Name: 4-hydroxybenzoic acid [(3R,3aS,4S,7S,8aR)-3,7-dihydroxy-8a-methyl-6-methylene-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] ester IUPAC Name: [(3R,3aS,4S,7S,8aR)-3,7-dihydroxy-8a-methyl-6-methylidene-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-hydroxybenzoate Traditional Name: 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 Formula: C22H30O5 MolecularWeight: 374.4706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCC2(C1C(CC(=C)C(C2)O)OC(=O)C3=CC=C(C=C3)O)C)O

Isomeric SMILES

CC(C)[C@@]1(CC[C@]2([C@H]1[C@H](CC(=C)[C@H](C2)O)OC(=O)C3=CC=C(C=C3)O)C)O

InChI

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