Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, (2S,7aR,7bS)-3-formyl-2,5,6,7,7a,7b-hexahydro-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

CAS Registry Number®

119516-62-0

CAS Name

Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, (2S,7aR,7bS)-3-formyl-2,5,6,7,7a,7b-hexahydro-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

Molecular Formula

C24H27ClO5

Molecular Mass

430.92

Cite this Page

Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, (2S,7aR,7bS)-3-formyl-2,5,6,7,7a,7b-hexahydro-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=119516-62-0 (retrieved 2024-11-22) (CAS RN: 119516-62-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H27ClO5/c1-12-19(16(27)7-17(29-5)21(12)25)22(28)30-18-10-24(4)15-9-23(2,3)8-13(15)6-14(11-26)20(18)24/h6-7,11,15,18,27H,8-10H2,1-5H3/t15-,18+,24+/m1/s1

InChIKey

InChIKey=WBKZHHYDPDOCBB-SKDDIYDISA-N

SMILES

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

Canonical SMILES

O=CC=1C=C2CC(C)(C)CC2C3(C1C(OC(=O)C4=C(O)C=C(OC)C(Cl)=C4C)C3)C

Other Names for this Substance

  • Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, (2S,7aR,7bS)-3-formyl-2,5,6,7,7a,7b-hexahydro-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
  • Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, 3-formyl-2,5,6,7,7a,7b-hexahydro-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2S-(2α,7aα,7bβ)]-
  • 1H-Cyclobut[e]indene, benzoic acid deriv.
  • Armillaricin
  • CH 205-A

CAS INSIGHTSTM
Targeted protein degrader structure, illustration