Chem
J-GLOBAL ID:200907039885128010
Nikkaji number:J737.678B
(3R,4R,5R,7S,8S,9S)-5,7-Dimethyl-6-oxo-3,9:4,8-diepoxy-1,2-dioxonane-4-(1-propanol)
(3R,4R,5R,7S,8S,9S)-5,7-ジメチル-6-オキソ-3,9:4,8-ジエポキシ-1,2-ジオキソナン-4-(1-プロパノール)
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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:
C12 H18 O6
Molecular formula furigana:
C12-H18-O6
Molecular weight:
258.269
InChI:
InChI=1S/C12H18O6/c1-6-8(14)7(2)12(4-3-5-13)11-15-10(17-18-11)9(6)16-12/h6-7,9-11,13H,3-5H2,1-2H3/t6-,7+,9+,10+,11?,12-/m1/s1
InChI key:
RMVTXHPOGWPJEV-YUHNHKIZSA-N
SMILES:
C[C@H]1[C@@H]2O[C@@](CCCO)([C@H]3OO[C@@H]2O3)[C@@H](C)C1=O
Systematic name (3):
(3R,4R,5R,7S,8S,9S)-5,7-ジメチル-6-オキソ-3,9:4,8-ジエポキシ-1,2-ジオキソナン-4-(1-プロパノール)
(1R,2R,5S,6S,7S,9R)-1-(3-ヒドロキシプロピル)-7,9-ジメチル-3,4,10,11-テトラオキサトリシクロ[4.3.1.12,5 ]ウンデカン-8-オン
(1R,2R,5S,6S,7S,9R)-1-(3-hydroxypropyl)-7,9-dimethyl-3,4,10,11-tetraoxatricyclo[4.3.1.12,5 ]undecan-8-one
Other name (1):
(3R,4R,5R,7S,8S,9S)-5,7-Dimethyl-6-oxo-3,9:4,8-diepoxy-1,2-dioxonane-4-(1-propanol)
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