Chem
J-GLOBAL ID:200907073637581438
Nikkaji number:J1.709.660E
(3S,6S)-5-Bromo-12-oxapentacyclo[6.2.1.16,9 .02,7 .02,10 ]dodecane-4-ene-3-ol
(2S,5S)-4-ブロモ-6-オキサペンタシクロ[6.4.0.01,9 .05,12 .07,11 ]ドデカ-3-エン-2-オール
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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:
C11 H11 BrO2
Molecular formula furigana:
C11-H11-BR-O2
Molecular weight:
255.111
InChI:
InChI=1S/C11H11BrO2/c12-5-2-6(13)11-4-1-3-7(11)10(5)14-9(3)8(4)11/h2-4,6-10,13H,1H2/t3?,4?,6-,7?,8?,9?,10+,11?/m0/s1
InChI key:
WZFCCWINRDUIAI-UERVMUBFSA-N
SMILES:
O[C@H]1C=C(Br)[C@H]2OC3C4C5CC3C2C145
Systematic name (3):
(3S,6S)-5-ブロモ-12-オキサペンタシクロ[6.2.1.16,9 .02,7 .02,10 ]ドデカン-4-エン-3-オール
(2S,5S)-4-ブロモ-6-オキサペンタシクロ[6.4.0.01,9 .05,12 .07,11 ]ドデカ-3-エン-2-オール
(2S,5S)-4-bromo-6-oxapentacyclo[6.4.0.01,9 .05,12 .07,11 ]dodec-3-en-2-ol
Other name (1):
(3S,6S)-5-Bromo-12-oxapentacyclo[6.2.1.16,9 .02,7 .02,10 ]dodecane-4-ene-3-ol
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