Chem
J-GLOBAL ID:200907026768333512   Nikkaji number:J2.445.615C

(1α,7β)-3β-(3-Hydroxypropyl)-4,9α-dimethyl-2,8,10-trioxabicyclo[5.4.0]undecane-4α-ol

(1α,7β)-3β-(3-ヒドロキシプロピル)-4,9α-ジメチル-2,8,10-トリオキサビシクロ[5.4.0]ウンデカン-4α-オール
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: C13H24O5
Molecular formula furigana: C13-H24-O5
Molecular weight: 260.329
InChI: InChI=1S/C13H24O5/c1-9-16-8-11-10(17-9)5-6-13(2,15)12(18-11)4-3-7-14/h9-12,14-15H,3-8H2,1-2H3/t9-,10+,11-,12+,13-/m1/s1
InChI key: ZYXRHINAHOZORZ-RXGFPQBGSA-N
SMILES: C[C@@H]1OC[C@H]2O[C@@H](CCCO)[C@](C)(O)CC[C@@H]2O1
Systematic name  (3):
  • (1α,7β)-3β-(3-ヒドロキシプロピル)-4,9α-ジメチル-2,8,10-トリオキサビシクロ[5.4.0]ウンデカン-4α-オール
  • (2R,4aR,6S,7R,9aS)-6-(3-ヒドロキシプロピル)-2,7-ジメチル-オクタヒドロ-[1,3]ジオキシノ[5,4-b]オキセピン-7-オール
  • (2R,4aR,6S,7R,9aS)-6-(3-hydroxypropyl)-2,7-dimethyl-octahydro-[1,3]dioxino[5,4-b]oxepin-7-ol
Other name (1):
  • (1α,7β)-3β-(3-Hydroxypropyl)-4,9α-dimethyl-2,8,10-trioxabicyclo[5.4.0]undecane-4α-ol
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