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Home > Encyclopedia > Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

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

Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester structure

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

structure
  • CAS No:

    102092-23-9

  • Formula:

    C24H31ClO6

  • Chemical Name:

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

  • Synonyms:

    Benzoic acid,3-chloro-6-hydroxy-4-methoxy-2-methyl-,(2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester;Benzoic acid,3-chloro-6-hydroxy-4-methoxy-2-methyl-,2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester,[2R-(2α,4α,4aα,7aα,7bβ)]-;1H-Cyclobut[e]indene,benzoic acid deriv.;Arnamiol;Melleolide Q;CH 205-J;4′-O-Methylmelleolide P

Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester Basic Attributes

450.9 g/mol

450.95

Characteristics

96.2 Ų

Computed Properties

Molecular Weight:450.9
XLogP3:4.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:450.1809164
Monoisotopic Mass:450.1809164
Topological Polar Surface Area:96.2
Heavy Atom Count:31
Complexity:765
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

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