[(2R,2aS,4aR,7R,7aS,7bR)-3-methanoyl-6,6,7b-trimethyl-2a,4a,7-tris(oxidanyl)-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-methyl-4,6-bis(oxidanyl)benzoate

Systemtic Name: [(2R,2aS,4aR,7R,7aS,7bR)-3-methanoyl-6,6,7b-trimethyl-2a,4a,7-tris(oxidanyl)-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-methyl-4,6-bis(oxidanyl)benzoate Openeye Name: [(2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methyl-benzoate CAS Name: 2,4-dihydroxy-6-methylbenzoic acid [(2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] ester IUPAC Name: [(2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate Traditional Name: 2,4-dihydroxy-6-methyl-benzoic acid [(2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobut[e]inden-2-yl] ester Formula: C23H28O8 MolecularWeight: 432.46362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)OC2CC3(C2(C(=CC4(C3C(C(C4)(C)C)O)O)C=O)O)C)O)O

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3[C@H](C(C4)(C)C)O)O)C=O)O)C)O)O

InChI

InChI=1S/C23H28O8/c1-11-5-13(25)6-14(26)16(11)19(28)31-15-8-21(4)17-18(27)20(2,3)10-22(17,29)7-12(9-24)23(15,21)30/h5-7,9,15,17-18,25-27,29-30H,8,10H2,1-4H3/t15-,17-,18-,21-,22+,23+/m1/s1