Benzoic acid, 2-hydroxy-4-methoxy-6-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®

119516-61-9

CAS Name

Benzoic acid, 2-hydroxy-4-methoxy-6-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

C24H28O5

Molecular Mass

396.48

Cite this Page

Benzoic acid, 2-hydroxy-4-methoxy-6-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=119516-61-9 (retrieved 2024-11-05) (CAS RN: 119516-61-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H28O5/c1-13-6-16(28-5)8-18(26)20(13)22(27)29-19-11-24(4)17-10-23(2,3)9-14(17)7-15(12-25)21(19)24/h6-8,12,17,19,26H,9-11H2,1-5H3/t17-,19+,24+/m1/s1

InChIKey

InChIKey=PSYAOSKFPRSDTM-VUMVONDWSA-N

SMILES

C[C@]12C([C@@H](OC(=O)C3=C(C)C=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)C=4C(O)=CC(OC)=CC4C)C3)C

Other Names for this Substance

  • Benzoic acid, 2-hydroxy-4-methoxy-6-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, 2-hydroxy-4-methoxy-6-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.
  • Armillaribin

CAS INSIGHTSTM
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