Spiro[isobenzofuran-4(1H),4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,9′(4′aH)-dione, decahydro-3,5′-dihydroxy-7a-methyl-8′-methylene-, (3S,3aS,4R,4′aS,5′R,7′S,7aR,9′aS)-
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![Spiro[isobenzofuran-4(1H),4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,9′(4′aH)-dione, decahydro-3,5′-dihydroxy-7a-methyl-8′-methylene-, (3S,3aS,4R,4′aS,5′R,7′S,7aR,9′aS)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9ac90d94b7da43a8af13d619c77f1743.png "Spiro[isobenzofuran-4(1H),4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,9′(4′aH)-dione, decahydro-3,5′-dihydroxy-7a-methyl-8′-methylene-, (3S,3aS,4R,4′aS,5′R,7′S,7aR,9′aS)-")
Spiro[isobenzofuran-4(1H),4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,9′(4′aH)-dione, decahydro-3,5′-dihydroxy-7a-methyl-8′-methylene-, (3S,3aS,4R,4′aS,5′R,7′S,7aR,9′aS)-
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CAS No:
66548-00-3
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Formula:
C20H26O6
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Chemical Name:
Spiro[isobenzofuran-4(1H),4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,9′(4′aH)-dione, decahydro-3,5′-dihydroxy-7a-methyl-8′-methylene-, (3S,3aS,4R,4′aS,5′R,7′S,7aR,9′aS)-
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Synonyms:
Spiro[isobenzofuran-4(1H),4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,9′(4′aH)-dione,decahydro-3,5′-dihydroxy-7a-methyl-8′-methylene-,(3S,3aS,4R,4′aS,5′R,7′S,7aR,9′aS)-;Spiro[isobenzofuran-4(1H),4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,9′(4′aH)-dione,decahydro-3,5′-dihydroxy-7a-methyl-8′-methylene-,[4′R-[4′α(3S*,3aS*,7aR*),4′aα,5′β,7′β,9′aβ]]-;Shikodonin
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CAS No:
Spiro[isobenzofuran-4(1H),4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,9′(4′aH)-dione, decahydro-3,5′-dihydroxy-7a-methyl-8′-methylene-, (3S,3aS,4R,4′aS,5′R,7′S,7aR,9′aS)- Basic Attributes
362.4 g/mol
362.42
DTXSID50331735
Computed Properties
Molecular Weight:362.4
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Exact Mass:362.17293854
Monoisotopic Mass:362.17293854
Topological Polar Surface Area:93.1
Heavy Atom Count:26
Complexity:717
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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