Benzoic acid, 2-hydroxy-4-methoxy-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
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Benzoic acid, 2-hydroxy-4-methoxy-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
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CAS No:
127500-59-8
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Formula:
C24H30O7
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Chemical Name:
Benzoic acid, 2-hydroxy-4-methoxy-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
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Synonyms:
Benzoic acid,2-hydroxy-4-methoxy-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;Benzoic acid,2-hydroxy-4-methoxy-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,[2R-(2α,2aβ,4aα,7aα,7bβ)]-;1H-Cyclobut[e]indene,benzoic acid deriv.;(+)-Armillarilin;Armillarilin
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CAS No:
Benzoic acid, 2-hydroxy-4-methoxy-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 Basic Attributes
430.497
430.49
Computed Properties
Molecular Weight:430.5
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:430.19915329
Monoisotopic Mass:430.19915329
Topological Polar Surface Area:113
Heavy Atom Count:31
Complexity:806
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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