(1′S,2′R,4aS,5S,6′S,7S,9aS)-6′-(Acetyloxy)hexahydro-5-hydroxy-3′,3′-dimethyl-8-methylene-1,9-dioxospiro[1H-7,9a-methanocyclohepta[c]pyran-4(3H),1′-cyclohexane]-2′-carboxylic acid
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![(1′S,2′R,4aS,5S,6′S,7S,9aS)-6′-(Acetyloxy)hexahydro-5-hydroxy-3′,3′-dimethyl-8-methylene-1,9-dioxospiro[1H-7,9a-methanocyclohepta[c]pyran-4(3H),1′-cyclohexane]-2′-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bdb4dae73f874c03b8d020035c549073.png "(1′S,2′R,4aS,5S,6′S,7S,9aS)-6′-(Acetyloxy)hexahydro-5-hydroxy-3′,3′-dimethyl-8-methylene-1,9-dioxospiro[1H-7,9a-methanocyclohepta[c]pyran-4(3H),1′-cyclohexane]-2′-carboxylic acid")
(1′S,2′R,4aS,5S,6′S,7S,9aS)-6′-(Acetyloxy)hexahydro-5-hydroxy-3′,3′-dimethyl-8-methylene-1,9-dioxospiro[1H-7,9a-methanocyclohepta[c]pyran-4(3H),1′-cyclohexane]-2′-carboxylic acid
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CAS No:
84294-78-0
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Formula:
C22H28O8
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Chemical Name:
(1′S,2′R,4aS,5S,6′S,7S,9aS)-6′-(Acetyloxy)hexahydro-5-hydroxy-3′,3′-dimethyl-8-methylene-1,9-dioxospiro[1H-7,9a-methanocyclohepta[c]pyran-4(3H),1′-cyclohexane]-2′-carboxylic acid
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Synonyms:
Spiro[1H-7,9a-methanocyclohepta[c]pyran-4(3H),1′-cyclohexane]-2′-carboxylic acid,6′-(acetyloxy)hexahydro-5-hydroxy-3′,3′-dimethyl-8-methylene-1,9-dioxo-,(1′S,2′R,4aS,5S,6′S,7S,9aS)-;Spiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxylic acid,6-(acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxo-,[4′S-[4′α(2S*,6R*),4′aβ,5′β,7′α,9′aα]]-;Spiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxylic acid,6-(acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxo-,(1S,2R,4′aS,5′S,6S,7′S,9′aS)-;(1′S,2′R,4aS,5S,6′S,7S,9aS)-6′-(Acetyloxy)hexahydro-5-hydroxy-3′,3′-dimethyl-8-methylene-1,9-dioxospiro[1H-7,9a-methanocyclohepta[c]pyran-4(3H),1′-cyclohexane]-2′-carboxylic acid;Isodonoic acid
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CAS No:
(1′S,2′R,4aS,5S,6′S,7S,9aS)-6′-(Acetyloxy)hexahydro-5-hydroxy-3′,3′-dimethyl-8-methylene-1,9-dioxospiro[1H-7,9a-methanocyclohepta[c]pyran-4(3H),1′-cyclohexane]-2′-carboxylic acid Basic Attributes
420.5 g/mol
420.45
Computed Properties
Molecular Weight:420.5
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:420.17841785
Monoisotopic Mass:420.17841785
Topological Polar Surface Area:127
Heavy Atom Count:30
Complexity:859
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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