(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde
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![(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f63055a0a0cf4338a22c7bc5ea11fc1e.png "(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde")
(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde
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CAS No:
16964-56-0
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Formula:
C22H28O7
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Chemical Name:
(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde
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Synonyms:
Spiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde,6-(acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxo-,(1S,2R,4′aS,5′S,7′S,9′aS)-;Spiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde,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]]-;(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde;Isodonal
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CAS No:
(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde Basic Attributes
404.5 g/mol
404.45
Computed Properties
Molecular Weight:404.5
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:404.18350323
Monoisotopic Mass:404.18350323
Topological Polar Surface Area:107
Heavy Atom Count:29
Complexity:814
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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