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

CAS Registry Number®

135247-96-0

CAS Name

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

Molecular Formula

C23H28O7

Molecular Mass

416.46

Cite this Page

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aR,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, rel-(+)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=135247-96-0 (retrieved 2024-11-22) (CAS RN: 135247-96-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C23H28O7/c1-12-5-14(25)6-15(26)18(12)19(27)30-17-9-21(4)16-8-20(2,3)11-22(16,28)7-13(10-24)23(17,21)29/h5-7,10,16-17,25-26,28-29H,8-9,11H2,1-4H3/t16-,17-,21-,22+,23+/s2

InChIKey

InChIKey=CXDPJDYGYSRNDR-URMMCSDTNA-N

SMILES

O[C@]12[C@](C)([C@]3([C@@](O)(C=C1C=O)CC(C)(C)C3)[H])C[C@@H]2OC(=O)C4=C(C)C=C(O)C=C4O

Canonical SMILES

O=CC1=CC2(O)CC(C)(C)CC2C3(C)CC(OC(=O)C=4C(O)=CC(O)=CC4C)C13O

Other Names for this Substance

  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aR,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, rel-(+)-
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, (2α,2aβ,4aα,7aα,7bβ)-(+)-
  • Armillaritin
  • CH 205-I

CAS INSIGHTSTM
Targeted protein degrader structure, illustration