Chem
J-GLOBAL ID:200907046780748940
Nikkaji number:J994.432J
(1S)-1α,5,5-Trimethyl-6α-ethyl-7-oxabicyclo[4.1.0]heptane-3β-ol acetate
(1S)-1α,5,5-トリメチル-6α-エチル-7-オキサビシクロ[4.1.0]ヘプタン-3β-オールアセタート
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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:
C13 H22 O3
Molecular formula furigana:
C13-H22-O3
Molecular weight:
226.316
InChI:
InChI=1S/C13H22O3/c1-6-13-11(3,4)7-10(15-9(2)14)8-12(13,5)16-13/h10H,6-8H2,1-5H3/t10-,12-,13+/m0/s1
InChI key:
HCDBYCRBVGYFDU-WCFLWFBJSA-N
SMILES:
CC[C@]12O[C@@]1(C)C[C@H](CC2(C)C)OC(=O)C
Systematic name (3):
(1S)-1α,5,5-トリメチル-6α-エチル-7-オキサビシクロ[4.1.0]ヘプタン-3β-オールアセタート
(1S,3S,6R)-6-エチル-1,5,5-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-3-イル アセタート
(1S,3S,6R)-6-ethyl-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl acetate
Other name (1):
(1S)-1α,5,5-Trimethyl-6α-ethyl-7-oxabicyclo[4.1.0]heptane-3β-ol acetate
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