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

CAS Registry Number®

117240-47-8

CAS Name

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

Molecular Formula

C24H30O7

Molecular Mass

430.49

Cite this Page

Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aS,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-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=117240-47-8 (retrieved 2024-11-08) (CAS RN: 117240-47-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    108-112 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C24H30O7/c1-12-6-15(30-5)8-16(26)18(12)21(28)31-17-10-23(4)19-13(9-22(2,3)20(19)27)7-14(11-25)24(17,23)29/h6-8,11,13,17,19-20,26-27,29H,9-10H2,1-5H3/t13-,17-,19-,20-,23-,24+/m1/s1

InChIKey

InChIKey=NQAHWJIWYRYXFP-OCQSXXIKSA-N

SMILES

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

Canonical SMILES

O=CC1=CC2CC(C)(C)C(O)C2C3(C)CC(OC(=O)C4=C(O)C=C(OC)C=C4C)C13O

Other Names for this Substance

  • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aS,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
  • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2α,2aβ,4aα,7β,7aα,7bβ)]-
  • 1H-Cyclobut[e]indene, benzoic acid deriv.
  • Melleolide H

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles