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

CAS Registry Number®

96627-13-3

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-methoxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

Molecular Formula

C24H30O6

Molecular Mass

414.49

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-methoxy-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=96627-13-3 (retrieved 2025-02-24) (CAS RN: 96627-13-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H30O6/c1-13-6-16(26)8-18(27)20(13)21(28)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)29-5/h6-8,12,14,17,19,26-27H,9-11H2,1-5H3/t14-,17+,19-,23-,24+/m1/s1

InChIKey

InChIKey=GYCBSZGIYPNYAB-GNMVUSIZSA-N

SMILES

O(C)[C@@]12[C@@](C)([C@@]3([C@](C=C1C=O)(CC(C)(C)C3)[H])[H])C[C@H]2OC(=O)C4=C(C)C=C(O)C=C4O

Canonical SMILES

O=CC1=CC2CC(C)(C)CC2C3(C)CC(OC(=O)C=4C(O)=CC(O)=CC4C)C13OC

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-methoxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
  • 1H-Cyclobut[e]indene, benzoic acid deriv.
  • 4-O-Methylmelleolide

CAS INSIGHTSTM
Samples on a microarray, illustration