Chem
J-GLOBAL ID:200907008928903843
Nikkaji number:J18.899I
Inulicin
イヌリシン
Download MOL file
Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C17 H24 O5
Molecular formula furigana:
C17-H24-O5
Molecular weight:
308.374
InChI:
InChI=1S/C17H24O5/c1-9-8-14-15(11(3)17(20)22-14)16(19)10(2)13(9)6-5-7-21-12(4)18/h10,14-16,19H,3,5-8H2,1-2,4H3/t10-,14-,15-,16-/m1/s1
InChI key:
QKVABRCMWRXFAF-HMTTWLPMSA-N
SMILES:
C[C@H]1[C@@H](O)[C@H]2[C@@H](CC(=C1CCCOC(=O)C)C)OC(=O)C2=C
Systematic name (4):
(3aS)-3,3aα,4,5,8,8aα-ヘキサヒドロ-4α-ヒドロキシ-6-(3-アセトキシプロピル)-5α,7-ジメチル-3-メチレン-2H-シクロヘプタ[b]フラン-2-オン
(3aS)-6-(3-アセトキシプロピル)-3,3aα,4,5,8,8aα-ヘキサヒドロ-4α-ヒドロキシ-5α,7-ジメチル-3-メチレン-2H-シクロヘプタ[b]フラン-2-オン
3-[(3aS,4R,5R,8aR)-4-ヒドロキシ-5,7-ジメチル-3-メチリデン-2-オキソ-2H,3H,3aH,4H,5H,8H,8aH-シクロヘプタ[b]フラン-6-イル]プロピル アセタート
3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,8aH-cyclohepta[b]furan-6-yl]propyl acetate
Other name (4):
イヌリシン
Inulicin
(3aS)-6-(3-Acetoxypropyl)-3,3aα,4,5,8,8aα-hexahydro-4α-hydroxy-5α,7-dimethyl-3-methylene-2H-cyclohepta[b]furan-2-one
(3aS)-3,3aα,4,5,8,8aα-Hexahydro-4α-hydroxy-6-(3-acetoxypropyl)-5α,7-dimethyl-3-methylene-2H-cyclohepta[b]furan-2-one
CAS registry number:
33627-41-7
Regulation number (1):
Thsaurus map:
Return to Previous Page