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Home > Encyclopedia > 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-, (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-, (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 structure

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 

structure
  • CAS No:

    129741-56-6

  • Formula:

    C24H30O6

  • Chemical 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

  • Synonyms:

    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

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 Basic Attributes

414.498

414.49

Characteristics

93.1

3.9

2.72E-13mmHg at 25°C

Drug Information

armillaripin

Computed Properties

Molecular Weight:414.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:414.20423867
Monoisotopic Mass:414.20423867
Topological Polar Surface Area:93.1
Heavy Atom Count:30
Complexity:759
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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