(3aS,9R,9aS,9bS)-9-Hydroxy-6,9-dimethyl-3-methylene-3a,4,5,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one | CAS No. 68370-47-8

(3aS,9R,9aS,9bS)-9-Hydroxy-6,9-dimethyl-3-methylene-3a,4,5,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one

Basic Information

CAS Number

68370-47-8

Molecular Formula

C15H20O3

Molecular Weight

248.32 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

131-133 ºC

Density

1.17±0.1 g/cm3 (20 ºC 760 Torr),

O=C(O[C@@]1([H])[C@@]2([H])CCC(C)=C3CC[C@@](C)(O)[C@@]31[H])C2=C

InChI

InChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15+/m0/s1

InChIKey

RDJAFOWISVMOJY-PWNZVWSESA-N

LogP

2.3555

Topological Polar Surface Area

46.53 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

462

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • Micheliolide
  • (3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
  • Mecheliolide
  • [3aS-(3aalpha,9alpha,9aalpha,9bbeta)]-3a,4,5,7,8,9,9a,9b-Octahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one
  • (3aS)-3aβ,4,5,7,8,9,9aβ,9bα-Octahydro-9β-hydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one
  • C09507
  • (3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
  • BCP28251
  • VZ20104
  • (3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-3a,4,5,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-on

MDL Number

MFCD27953044

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