Benzoic acid, 2,4-dihydroxy-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,2aα,4aα,7β,7aα,7bβ)]-

CAS Registry Number®

130396-93-9

CAS Name

Benzoic acid, 2,4-dihydroxy-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,2aα,4aα,7β,7aα,7bβ)]-

Molecular Formula

C23H28O7

Molecular Mass

416.46

Cite this Page

Benzoic acid, 2,4-dihydroxy-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,2aα,4aα,7β,7aα,7bβ)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=130396-93-9 (retrieved 2024-11-22) (CAS RN: 130396-93-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H28O7/c1-11-5-14(25)7-15(26)17(11)20(28)30-16-9-22(4)18-12(8-21(2,3)19(18)27)6-13(10-24)23(16,22)29/h5-7,10,12,16,18-19,25-27,29H,8-9H2,1-4H3/t12-,16-,18-,19-,22-,23-/m1/s1

InChIKey

InChIKey=VNRLQDGXGABKPC-ATKPUVBQSA-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(O)C=C4O

Canonical SMILES

O=CC1=CC2CC(C)(C)C(O)C2C3(C)CC(OC(=O)C=4C(O)=CC(O)=CC4C)C13O

Other Names for this Substance

  • Benzoic acid, 2,4-dihydroxy-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,2aα,4aα,7β,7aα,7bβ)]-
  • 1H-Cyclobut[e]indene, benzoic acid deriv.

CAS INSIGHTSTM
Targeted protein degrader structure, illustration