2β,4aα,8α-Trihydroxy-1β,8β-dimethylgibbane-1α,10β-dicarboxylicacid1,4a-lactone
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2β,4aα,8α-Trihydroxy-1β,8β-dimethylgibbane-1α,10β-dicarboxylicacid1,4a-lactone
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CAS No:
561-68-2
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Formula:
C19H26O6
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Chemical Name:
2β,4aα,8α-Trihydroxy-1β,8β-dimethylgibbane-1α,10β-dicarboxylicacid1,4a-lactone
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Synonyms:
gibberellin A2;CHEBI:36774;Q27116954;(1R,2R,5R,6R,8R,9S,10R,11S,12S)-6,12-dihydroxy-6,11-dimethyl-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid;(1S,2S,4aR,4bR,7R,8R,9aR,10S,10aR)-2,8-dihydroxy-1,8-dimethyl-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid;2beta,8alpha-dihydroxy-1alpha,8-dimethyl-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid
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CAS No:
Description
Gibberellin A2 is a C19-gibberellin, initially identified in Gibberella fujikuroi; it differs from gibberellin A1 in the absence of an OH group at C-7 and the substitution of the methylidene grouping at C-8 by alpha-OH and beta-Me groups (gibbane numberings). It is a C19-gibberellin, a lactone and a gibberellin monocarboxylic acid.
2β,4aα,8α-Trihydroxy-1β,8β-dimethylgibbane-1α,10β-dicarboxylicacid1,4a-lactone Basic Attributes
350.40614
350.173
Computed Properties
Molecular Weight:350.4
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:350.17293854
Monoisotopic Mass:350.17293854
Topological Polar Surface Area:104
Heavy Atom Count:25
Complexity:691
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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