ChemicalBook--->CAS DataBase List--->40737-97-1

40737-97-1

40737-97-1 Structure

40737-97-1 Structure
IdentificationBack Directory
[Name]

Graniline
[CAS]

40737-97-1
[Synonyms]

Granilin
Graniline
3a,4,4a,5,6,7,8,8a,9,9a-Decahydro-6,8-dihydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
[Molecular Formula]

C15H20O4
[MDL Number]

MFCD34471616
[MOL File]

40737-97-1.mol
[Molecular Weight]

264.32
Chemical PropertiesBack Directory
[Boiling point ]

469.8±45.0 °C(Predicted)
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : ≥ 100 mg/mL (378.33 mM)
[form ]

Solid
[pka]

14.41±0.60(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C15H20O4/c1-7-9-4-10-8(2)11(16)5-13(17)15(10,3)6-12(9)19-14(7)18/h9-13,16-17H,1-2,4-6H2,3H3/t9-,10+,11-,12-,13+,15-/m1/s1
[InChIKey]

ZEIYNPAINVEWGP-PVZBEVCSSA-N
[SMILES]

O1C(=O)C(=C)[C@@]2([H])C[C@]3([H])[C@@](C)(C[C@@]12[H])[C@@H](O)C[C@@H](O)C3=C
Hazard InformationBack Directory
[Uses]

Granilin, a sesquiterpene lactone, can be found in the flower buds of Carpesium triste. Granilin can be used as the bactericide and fungicide[1].
[Definition]

ChEBI: Granilin is a eudesmane sesquiterpenoid.
[References]

[1] Liu, et, al. A New Sesquiterpenoid from the Flower Buds of Carpesium triste. CHEM NAT COMPD+, 2015, 2015,51(4)(-):681-683.
Spectrum DetailBack Directory
[Spectrum Detail]

Graniline(40737-97-1)1HNMR
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