6,18-Dioxo-6,18-epoxy-6,7-secokaura-16-ene-7-oicacid
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6,18-Dioxo-6,18-epoxy-6,7-secokaura-16-ene-7-oicacid
structure -
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CAS No:
6750-12-5
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Formula:
C20H26O5
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Chemical Name:
6,18-Dioxo-6,18-epoxy-6,7-secokaura-16-ene-7-oicacid
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Synonyms:
Fujenoic acid;UNII-114SX0AQ72;114SX0AQ72;Fugenoic acid;Acide fugenoique;Q27896972;(1R,2S,5R)-6-Methylene-2-((3aS,4S,7aR)-octahydro-4,7a-dimethyl-1,3-dioxo-4-isobenzofuranyl)bicyclo(3.2.1)octane-1-carboxylic acid;1,2-Cyclohexanedicarboxylic anhydride, 3-(1-carboxy-6-methylenebicyclo(3.2.1)oct-2-yl)-1,3-dimethyl-;Bicyclo(3.2.1)octane-1-carboxylic acid, 6-methylene-2-((3aS,4S,7aR)-octahydro-4,7a-dimethyl-1,3-dioxo-4-isobenzofuranyl)-, (1R,2S,5R)-
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CAS No:
Computed Properties
Molecular Weight:346.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:346.17802393
Monoisotopic Mass:346.17802393
Topological Polar Surface Area:80.7
Heavy Atom Count:25
Complexity:696
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
6,18-Dioxo-6,18-epoxy-6,7-secokaura-16-ene-7-oicacid
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