 Home > Encyclopedia > (1aS,1bR,2S,2′R,5S,6aR,7aR,8R)-Hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one

(1aS,1bR,2S,2′R,5S,6aR,7aR,8R)-Hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one

(1aS,1bR,2S,2′R,5S,6aR,7aR,8R)-Hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one structure

CAS No:
2571-86-0
Formula:
C15H18O5
Chemical Name:
(1aS,1bR,2S,2′R,5S,6aR,7aR,8R)-Hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one
Synonyms:
Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one,hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2′R,5S,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-hydroxy-8α-isopropenyl-6aα-methyl-;Coriamyrtin;Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one,hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,[1aS-(1aα,1bβ,2β,5β,6aβ,7β,7aα,8S*)]-;(1aS,1bR,2S,2′R,5S,6aR,7aR,8R)-Hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one;Coriamyrtine;(+)-Coriamyrtin;465-55-4
Categories:
Biochemical Engineering > Chinese Herbs

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(1aS,1bR,2S,2′R,5S,6aR,7aR,8R)-Hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one Basic Attributes

Molecular Weight：

278.3

Exact Mass：

278.30

NSC Number：

337768

Characteristics

PSA：

71.59000

XLogP3：

0.41140

Density：

1.43g/cm3

Melting Point：

222-223 °C

Boiling Point：

485.9ºC at 760mmHg

Flash Point：

187.3ºC

Refractive Index：

1.611

Toxicity：

Intravenous-rat LDL0: 0.7 mg/kg; Intravenous-mouse LDL0: 1.0 mg/kg

Flammability characteristics：

Flammable, spicy and irritating smoke emitted from the fire

Specific rotation：

D14 +79°

Safety Information

Storage features：

Treasury is ventilated, low temperature and dry; stored and transported separately from acids and food

Toxicity

Toxicity class：

most toxic

Drug Information

MeSH Entry Terms：

coriamyrtin

Computed Properties

Molecular Weight:278.30
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:278.11542367
Monoisotopic Mass:278.11542367
Topological Polar Surface Area:71.6
Heavy Atom Count:20
Complexity:573
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Umbelliferone Formula

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Fumonisin B1 Formula

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(-)-Loganin Structure

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Bilobalide Structure

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Guide of (1aS,1bR,2S,2′R,5S,6aR,7aR,8R)-Hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one

Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Computed Properties
Learn More Other Chemicals

(1aS,1bR,2S,2′R,5S,6aR,7aR,8R)-Hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2′-oxiran]-3(2H)-one

SDS

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