Coriaria lactone
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Coriaria lactone
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CAS No:
2571-22-4
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Formula:
C15H18O6
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Chemical Name:
Coriaria lactone
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Synonyms:
Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one,hexahydro-1b,6-dihydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2′R,5R,6S,6aR,7aR,8R)-;Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2αH)-one,1aβ,1b,5α,6,6a,7aβ-hexahydro-1bα,6β-dihydroxy-8α-isopropenyl-6aα-methyl-;Tutin;Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one,hexahydro-1b,6-dihydroxy-6a-methyl-8-(1-methylethenyl)-,[1aS-(1aα,1bβ,2β,5β,6α,6aβ,7β,7aα,8S*)]-;Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one,hexahydro-1b,6-dihydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bS,2S,2′R,5R,6S,6aR,7aR,8S)-;(1aS,1bR,2S,2′R,5R,6S,6aR,7aR,8R)-Hexahydro-1b,6-dihydroxy-6a-methyl-8-(1-methylethenyl)spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one;(+)-Tutin;Coriaria lactone;1372-31-2;79029-98-4;97301-62-7
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CAS No:
Characteristics
91.82000
1.38
1.5±0.1 g/cm3
212-213 °C
550.9±50.0 °C at 760 mmHg
212.6±23.6 °C
1.637
LD50 i.p. in female mice: 3.0 mg/kg (Jarboe)
D20 +9.25° (alc); D17 +13.9° (c = 0.75, methanol)
Drug Information
2a,3a-epoxy-3a,4a,5,6,7,7a-hexahydro-3a alpha,6 beta,7 beta-trihydroxy-5 alpha-isopropyl-7a alpha- methylspiro(indan-1,2'-oxirane) gamma-lactone|coriaria lactone
Computed Properties
Molecular Weight:294.30
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:294.11033829
Monoisotopic Mass:294.11033829
Topological Polar Surface Area:91.8
Heavy Atom Count:21
Complexity:603
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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