Chem
J-GLOBAL ID:200907095037893430
Nikkaji number:J14.792C
Barrelin
バレリン
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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 H20 O4
Molecular formula furigana:
C15-H20-O4
Molecular weight:
264.321
InChI:
InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1
InChI key:
NGPDZEACIWDCKX-WUDKWMPASA-N
SMILES:
C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
Systematic name (4):
(3S)-3aβ,5,5a,9,9aβ,9bα-ヘキサヒドロ-9-ヒドロキシ-3β,5aα,9α-トリメチルナフト[1,2-b]フラン-2,6(3H,4H)-ジオン
(3S)-3aβ,5,5a,9,9aβ,9bα-ヘキサヒドロ-9β-ヒドロキシ-3,5aα,9-トリメチルナフト[1,2-b]フラン-2,6(3H,4H)-ジオン
(3S,3aS,5aR,9R,9aS,9bS)-9-ヒドロキシ-3,5a,9-トリメチル-2H,3H,3aH,4H,5H,5aH,6H,9H,9aH,9bH-ナフト[1,2-b]フラン-2,6-ジオン
(3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-b]furan-2,6-dione
Other name (10):
ブルガリン
タウレミシン
Vulgarin
Tauremisin
タウレミジン
Tauremizin
Barrelin
バレリン
(3S)-3aβ,5,5a,9,9aβ,9bα-Hexahydro-9β-hydroxy-3,5aα,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione
(3S)-3aβ,5,5a,9,9aβ,9bα-Hexahydro-9-hydroxy-3β,5aα,9α-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione
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CAS registry number:
3162-56-9
Regulation number (1):
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