[(3S,5aR,6R,9aS,10aR)-5a,10a-dimethyl-9-methylidene-3,9a-bis(oxidanyl)-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-6-yl] ethanoate

Systemtic Name: [(3S,5aR,6R,9aS,10aR)-5a,10a-dimethyl-9-methylidene-3,9a-bis(oxidanyl)-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-6-yl] ethanoate Openeye Name: [(3S,5aR,6R,9aS,10aR)-3,9a-dihydroxy-3-isopropyl-5a,10a-dimethyl-9-methylene-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-6-yl] acetate CAS Name: acetic acid [(3S,5aR,6R,9aS,10aR)-3,9a-dihydroxy-5a,10a-dimethyl-9-methylene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-6-yl] ester IUPAC Name: [(3S,5aR,6R,9aS,10aR)-3,9a-dihydroxy-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-6-yl] acetate Traditional Name: acetic acid [(3S,5aR,6R,9aS,10aR)-3,9a-dihydroxy-3-isopropyl-5a,10a-dimethyl-9-methylene-2,5,6,7,8,10-hexahydro-1H-benz[f]azulen-6-yl] ester Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCC2(C1=CCC3(C(CCC(=C)C3(C2)O)OC(=O)C)C)C)O

Isomeric SMILES

CC(C)[C@]1(CC[C@]2(C1=CC[C@@]3([C@@H](CCC(=C)[C@]3(C2)O)OC(=O)C)C)C)O

InChI

InChI=1S/C22H34O4/c1-14(2)21(24)12-11-19(5)13-22(25)15(3)7-8-18(26-16(4)23)20(22,6)10-9-17(19)21/h9,14,18,24-25H,3,7-8,10-13H2,1-2,4-6H3/t18-,19-,20-,21+,22+/m1/s1