Chem
J-GLOBAL ID:200907094234214440
Nikkaji number:J2.128.693A
(3R)-3β-(Hydroxymethyl)-6α-methyl-3aβ,6,7,7aβ-tetrahydroisobenzofuran-1(3H)-one
(3R)-3β-(ヒドロキシメチル)-6α-メチル-3aβ,6,7,7aβ-テトラヒドロイソベンゾフラン-1(3H)-オン
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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:
C10 H14 O3
Molecular formula furigana:
C10-H14-O3
Molecular weight:
182.219
InChI:
InChI=1S/C10H14O3/c1-6-2-3-7-8(4-6)10(12)13-9(7)5-11/h2-3,6-9,11H,4-5H2,1H3/t6-,7+,8-,9-/m0/s1
InChI key:
NHWABRNJHVVZFN-KZVJFYERSA-N
SMILES:
C[C@@H]1C[C@H]2[C@@H](C=C1)[C@H](CO)OC2=O
Systematic name (4):
(3R)-3β-(ヒドロキシメチル)-6α-メチル-3aβ,6,7,7aβ-テトラヒドロイソベンゾフラン-1(3H)-オン
(3R,3aR,6R,7aS)-3-(ヒドロキシメチル)-6-メチル-3a,6,7,7a-テトラヒドロイソベンゾフラン-1(3H)-オン
(3R,3aR,6R,7aS)-3-(ヒドロキシメチル)-6-メチル-1,3,3a,6,7,7a-ヘキサヒドロ-2-ベンゾフラン-1-オン
(3R,3aR,6R,7aS)-3-(hydroxymethyl)-6-methyl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-one
Other name (2):
(3R)-3β-(Hydroxymethyl)-6α-methyl-3aβ,6,7,7aβ-tetrahydroisobenzofuran-1(3H)-one
(3R,3aR,6R,7aS)-3-(Hydroxymethyl)-6-methyl-3a,6,7,7a-tetrahydroisobenzofuran-1(3H)-one
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