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

CAS Registry Number®

82105-51-9
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CAS Name

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-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,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-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=82105-51-9 (retrieved 2024-09-19) (CAS RN: 82105-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H30O6/c1-11-5-12(25)6-16(26)18(11)21(28)29-17-9-23(4)15-8-22(2,3)7-13(15)20(27)14(10-24)19(17)23/h5-6,13,15,17,20,24-27H,7-10H2,1-4H3/t13-,15+,17-,20+,23-/m1/s1

InChIKey

InChIKey=WGPPXYYHVRWVLO-NJORCMFTSA-N

SMILES

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

Canonical SMILES

O=C(OC1C2=C(CO)C(O)C3CC(C)(C)CC3C2(C)C1)C=4C(O)=CC(O)=CC4C

Other Names for this Substance

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