Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aS,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

CAS Registry Number®

82869-08-7

CAS Name

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aS,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

Molecular Formula

C23H28O6

Molecular Mass

400.46

Cite this Page

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aS,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82869-08-7 (retrieved 2024-11-08) (CAS RN: 82869-08-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H28O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,11,13,16,18,25-26,28H,8-10H2,1-4H3/t13-,16+,18-,22-,23+/m1/s1

InChIKey

InChIKey=SJZRUQOYQZRISL-IDOJSZHESA-N

SMILES

C[C@@]12[C@@](O)([C@H](OC(=O)C3=C(C)C=C(O)C=C3O)C1)C(C=O)=C[C@]4([C@@]2(CC(C)(C)C4)[H])[H]

Canonical SMILES

O=CC1=CC2CC(C)(C)CC2C3(C)CC(OC(=O)C=4C(O)=CC(O)=CC4C)C13O

Other Names for this Substance

  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aS,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, (2α,2aβ,4aα,7aα,7bβ)-(+)-
  • Melleolide
  • NSC 369505

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles