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

CAS Registry Number®

129741-56-6

CAS Name

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

Molecular Formula

C24H30O6

Molecular Mass

414.49

Cite this Page

Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-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=129741-56-6 (retrieved 2024-11-22) (CAS RN: 129741-56-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H30O6/c1-13-6-15(29-5)7-16(26)19(13)21(27)30-17-9-23(4)18-10-22(2,3)12-24(18,28)8-14(11-25)20(17)23/h6-8,11,17-18,20,26,28H,9-10,12H2,1-5H3/t17-,18-,20-,23-,24+/m1/s1

InChIKey

InChIKey=BGKXQRPQNIXIMH-MEVKZITKSA-N

SMILES

C[C@@]12[C@@]([C@H](OC(=O)C3=C(C)C=C(OC)C=C3O)C1)(C(C=O)=C[C@@]4(O)[C@@]2(CC(C)(C)C4)[H])[H]

Canonical SMILES

O=CC1=CC2(O)CC(C)(C)CC2C3(C)CC(OC(=O)C=4C(O)=CC(OC)=CC4C)C13

Other Names for this Substance

  • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
  • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2α,2aβ,4aα,7aα,7bβ)]-
  • 1H-Cyclobut[e]indene, benzoic acid deriv.
  • Armillaripin
  • (+)-Armillaripin

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