Chem
J-GLOBAL ID:200907022315650244
Nikkaji number:J12.745K
Ivalin
イバリン
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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 O3
Molecular formula furigana:
C15-H20-O3
Molecular weight:
248.322
InChI:
InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13+,15+/m0/s1
InChI key:
OVIILQQKQPCQTF-GGAZOKNXSA-N
SMILES:
C[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]1C(=C)C[C@H](O)C2
Systematic name (5):
(3aR,4aα,9aα)-3a,4,4a,5,6,7,8,8a,9,9a-デカヒドロ-7α-ヒドロキシ-8aβ-メチル-3,5-ビス(メチレン)ナフト[2,3-b]フラン-2(3H)-オン
(3aR)-7α-ヒドロキシ-3,5-ビスメチレン-8aβ-メチル-3aα,4,4aα,5,6,7,8,8a,9,9aα-デカヒドロナフト[2,3-b]フラン-2(3H)-オン
(3aR)-7α-ヒドロキシ-3,5-ビスメチレン-8aβ-メチル-3a,4,4aα,5,6,7,8,8a,9,9aα-デカヒドロナフト[2,3-b]フラン-2(3H)-オン
(3aR,4aS,7S,8aR,9aR)-7-ヒドロキシ-8a-メチル-3,5-ジメチリデン-ドデカヒドロナフト[2,3-b]フラン-2-オン
(3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylidene-dodecahydronaphtho[2,3-b]furan-2-one
Other name (5):
イバリン
Ivalin
(3aR,4aα,9aα)-3a,4,4a,5,6,7,8,8a,9,9a-Decahydro-7α-hydroxy-8aβ-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
(3aR)-7α-Hydroxy-3,5-bismethylene-8aβ-methyl-3aα,4,4aα,5,6,7,8,8a,9,9aα-decahydronaphtho[2,3-b]furan-2(3H)-one
(3aR)-7α-Hydroxy-3,5-bismethylene-8aβ-methyl-3a,4,4aα,5,6,7,8,8a,9,9aα-decahydronaphtho[2,3-b]furan-2(3H)-one
CAS registry number:
5938-03-4
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