rel-(-)-(1S,2′R,3′aR,4′S,6S,7′aS)-3′a,4′,5′,7′a-Tetrahydro-2′,6-dihydroxy-2′,4,4′-trimethylspiro[3-cyclohexene-1,3′(2′H)-[7H]furo[2,3-c]pyran]-5,7′-dione
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![rel-(-)-(1S,2′R,3′aR,4′S,6S,7′aS)-3′a,4′,5′,7′a-Tetrahydro-2′,6-dihydroxy-2′,4,4′-trimethylspiro[3-cyclohexene-1,3′(2′H)-[7H]furo[2,3-c]pyran]-5,7′-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e0c23586f5004143a3fffd428d3330e8.png "rel-(-)-(1S,2′R,3′aR,4′S,6S,7′aS)-3′a,4′,5′,7′a-Tetrahydro-2′,6-dihydroxy-2′,4,4′-trimethylspiro[3-cyclohexene-1,3′(2′H)-[7H]furo[2,3-c]pyran]-5,7′-dione")
rel-(-)-(1S,2′R,3′aR,4′S,6S,7′aS)-3′a,4′,5′,7′a-Tetrahydro-2′,6-dihydroxy-2′,4,4′-trimethylspiro[3-cyclohexene-1,3′(2′H)-[7H]furo[2,3-c]pyran]-5,7′-dione
structure -
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CAS No:
486430-94-8
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Formula:
C15H20O6
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Chemical Name:
rel-(-)-(1S,2′R,3′aR,4′S,6S,7′aS)-3′a,4′,5′,7′a-Tetrahydro-2′,6-dihydroxy-2′,4,4′-trimethylspiro[3-cyclohexene-1,3′(2′H)-[7H]furo[2,3-c]pyran]-5,7′-dione
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Synonyms:
Spiro[3-cyclohexene-1,3′(2′H)-[7H]furo[2,3-c]pyran]-5,7′-dione,3′a,4′,5′,7′a-tetrahydro-2′,6-dihydroxy-2′,4,4′-trimethyl-,(1S,2′R,3′aR,4′S,6S,7′aS)-rel-(-)-;Spiro[4-cyclohexene-1,3′(3′aH)-[2H]furo[2,3-c]pyran]-3,7′(7′aH)-dione,4′,5′-dihydro-2,2′-dihydroxy-2′,4,4′-trimethyl-,(1R,2R,2′S,3′aS,4′R,7′aR)-rel-(-)-;rel-(-)-(1S,2′R,3′aR,4′S,6S,7′aS)-3′a,4′,5′,7′a-Tetrahydro-2′,6-dihydroxy-2′,4,4′-trimethylspiro[3-cyclohexene-1,3′(2′H)-[7H]furo[2,3-c]pyran]-5,7′-dione;Cyclocalopin A
- Categories:
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CAS No:
rel-(-)-(1S,2′R,3′aR,4′S,6S,7′aS)-3′a,4′,5′,7′a-Tetrahydro-2′,6-dihydroxy-2′,4,4′-trimethylspiro[3-cyclohexene-1,3′(2′H)-[7H]furo[2,3-c]pyran]-5,7′-dione Basic Attributes
296.3157
296.32
Computed Properties
Molecular Weight:296.31
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Exact Mass:296.12598835
Monoisotopic Mass:296.12598835
Topological Polar Surface Area:93.1
Heavy Atom Count:21
Complexity:540
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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rel-(-)-(1S,2′R,3′aR,4′S,6S,7′aS)-3′a,4′,5′,7′a-Tetrahydro-2′,6-dihydroxy-2′,4,4′-trimethylspiro[3-cyclohexene-1,3′(2′H)-[7H]furo[2,3-c]pyran]-5,7′-dione
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