Chem
J-GLOBAL ID:200907096971246607
Nikkaji number:J21.277F
Xanthatin
キサンタチン
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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:
C15 H18 O3
Molecular formula furigana:
C15-H18-O3
Molecular weight:
246.306
InChI:
InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/t9-,13+,14-/m0/s1
InChI key:
RBRPTFMVULVGIC-FZZIBODNSA-N
SMILES:
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1C=CC(=O)C
Systematic name (4):
(3aR)-3,3aα,4,7,8,8aβ-ヘキサヒドロ-7β-メチル-3-メチレン-6-(3-オキソ-1-ブテニル)-2H-シクロヘプタ[b]フラン-2-オン
(3aR)-3-メチレン-7β-メチル-6-(3-オキソ-1-ブテニル)-3,3aα,4,7,8,8aβ-ヘキサヒドロ-2H-シクロヘプタ[b]フラン-2-オン
(3aR,7S,8aS)-7-メチル-3-メチリデン-6-(3-オキソブタ-1-エン-1-イル)-2H,3H,3aH,4H,7H,8H,8aH-シクロヘプタ[b]フラン-2-オン
(3aR,7S,8aS)-7-methyl-3-methylidene-6-(3-oxobut-1-en-1-yl)-2H,3H,3aH,4H,7H,8H,8aH-cyclohepta[b]furan-2-one
Other name (6):
キサンタチン
Xanthatin
(3aR)-3,3aα,4,7,8,8aβ-Hexahydro-7β-methyl-3-methylene-6-(3-oxo-1-butenyl)-2H-cyclohepta[b]furan-2-one
(3aR)-3-Methylene-7β-methyl-6-(3-oxo-1-butenyl)-3,3aα,4,7,8,8aβ-hexahydro-2H-cyclohepta[b]furan-2-one
(-)-キサンタチン
(-)-Xanthatin
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CAS registry number:
26791-73-1
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