Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, rel-(+)-
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![Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, rel-(+)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7d19637330344075bd4ee5fb2cb5ae36.png "Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, rel-(+)-")
Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, rel-(+)-
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CAS No:
103847-15-0
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Formula:
C23H28O8
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Chemical Name:
Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, rel-(+)-
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Synonyms:
Benzoic acid,2,4-dihydroxy-6-methyl-,(2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester,rel-(+)-;Benzoic acid,2,4-dihydroxy-6-methyl-,3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester,(2α,2aβ,4aα,7β,7aα,7bβ)-(+)-;Melledonal;Melledonal A
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CAS No:
Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, rel-(+)- Basic Attributes
432.5 g/mol
432.46
Computed Properties
Molecular Weight:432.5
XLogP3:2.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:432.17841785
Monoisotopic Mass:432.17841785
Topological Polar Surface Area:145
Heavy Atom Count:31
Complexity:822
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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