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

CAS Registry Number®

139051-16-4

CAS Name

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

Molecular Formula

C22H28O5

Molecular Mass

372.45

Cite this Page

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aR,4aS,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7a-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=139051-16-4 (retrieved 2024-11-22) (CAS RN: 139051-16-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28O5/c1-12-7-14(23)8-15(24)18(12)19(25)27-17-9-16-21(4)11-20(2,3)10-13(21)5-6-22(16,17)26/h5-8,13,16-17,23-24,26H,9-11H2,1-4H3/t13-,16-,17-,21+,22-/m1/s1

InChIKey

InChIKey=OARPHBIUHFLXAN-OLOSDLENSA-N

SMILES

C[C@@]12[C@@]3([C@@](O)([C@H](OC(=O)C4=C(C)C=C(O)C=C4O)C3)C=C[C@@]1(CC(C)(C)C2)[H])[H]

Canonical SMILES

O=C(OC1CC2C1(O)C=CC3CC(C)(C)CC32C)C=4C(O)=CC(O)=CC4C

Other Names for this Substance

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

CAS INSIGHTSTM
Targeted protein degrader structure, illustration