Chem
J-GLOBAL ID：200907019717479354
Nikkaji number：J641.841D
ラクトース1-オレアート
ラクトース1-オレアート
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
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
Molecular formula： C30H54O12
Molecular formula furigana： C30-H54-O12
Molecular weight： 606.750
InChI：
InChI=1S/C30H54O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(33)41-29-27(38)25(36)28(21(19-32)40-29)42-30-26(37)24(35)23(34)20(18-31)39-30/h9-10,20-21,23-32,34-38H,2-8,11-19H2,1H3/b10-9-/t20-,21-,23+,24+,25-,26-,27-,28-,29?,30+/m1/s1
InChI key：
BPLPVOFESAWKJV-HHVLMASXSA-N
SMILES：
CCCCCCCC/C=C\CCCCCCCC(=O)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Systematic name (3)：
- ラクトース1-オレアート
- (3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル (9Z)-オクタデカ-9-エノアート
- (3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (9Z)-octadec-9-enoate
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