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

CAS Registry Number®

117258-74-9

CAS Name

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

Molecular Formula

C23H30O6

Molecular Mass

402.48

Cite this Page

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aS,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-3-(hydroxymethyl)-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=117258-74-9 (retrieved 2024-11-12) (CAS RN: 117258-74-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H30O6/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/h5-7,13,16,18,24-26,28H,8-11H2,1-4H3/t13-,16+,18-,22-,23+/m1/s1

InChIKey

InChIKey=PAOHIYZPMWDBLO-IDOJSZHESA-N

SMILES

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

Canonical SMILES

O=C(OC1CC2(C)C3CC(C)(C)CC3C=C(CO)C12O)C=4C(O)=CC(O)=CC4C

Other Names for this Substance

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

CAS INSIGHTSTM
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