Chem
J-GLOBAL ID:200907073260035875
Nikkaji number:J2.192.765A
(1R,6R)-2α-Hydroxy-2-(3-hydroxypropyl)-7-oxabicyclo[4.1.0]hepta-4-ene-3-one
(1R,6R)-2α-ヒドロキシ-2-(3-ヒドロキシプロピル)-7-オキサビシクロ[4.1.0]ヘプタ-4-エン-3-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:
C9 H12 O4
Molecular formula furigana:
C9-H12-O4
Molecular weight:
184.191
InChI:
InChI=1S/C9H12O4/c10-5-1-4-9(12)7(11)3-2-6-8(9)13-6/h2-3,6,8,10,12H,1,4-5H2/t6-,8-,9-/m1/s1
InChI key:
ITCVTXNIVWHTHM-FTLITQJKSA-N
SMILES:
OCCC[C@]1(O)[C@@H]2O[C@@H]2C=CC1=O
Systematic name (4):
(1R,6R)-2α-ヒドロキシ-2-(3-ヒドロキシプロピル)-7-オキサビシクロ[4.1.0]ヘプタ-4-エン-3-オン
(1R,2S,6R)-2-ヒドロキシ-2-(3-ヒドロキシプロピル)-7-オキサビシクロ[4.1.0]ヘプタ-4-エン-3-オン
(1R,5S,6R)-5-ヒドロキシ-5-(3-ヒドロキシプロピル)-7-オキサビシクロ[4.1.0]ヘプタ-2-エン-4-オン
(1R,2S,6R)-2-hydroxy-2-(3-hydroxypropyl)-7-oxabicyclo[4.1.0]hept-4-en-3-one
Other name (3):
(1R,6R)-2α-Hydroxy-2-(3-hydroxypropyl)-7-oxabicyclo[4.1.0]hepta-4-ene-3-one
(1R,2S,6R)-2-Hydroxy-2-(3-hydroxypropyl)-7-oxabicyclo[4.1.0]hepta-4-ene-3-one
(1R,5S,6R)-5-Hydroxy-5-(3-hydroxypropyl)-7-oxabicyclo[4.1.0]hepta-2-ene-4-one
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