Chem
J-GLOBAL ID：201707018368547505
Nikkaji number：J3.630.725K
(11Z)-11-Octadecenoic acid (2S)-1-(α-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propane-2-yl ester
(11Z)-11-オクタデセン酸(2S)-1-(α-D-グルコピラノシルオキシ)-3-(ヘキサデカノイルオキシ)プロパン-2-イル
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： C43H80O10
Molecular formula furigana： C43-H80-O10
Molecular weight： 757.103
InChI：
InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,36-37,40-44,47-49H,3-12,14,16-35H2,1-2H3/b15-13-/t36-,37-,40-,41+,42-,43+/m1/s1
InChI key：
FJAAFGBZVPKOCR-HBHGLPGMSA-N
SMILES：
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCC/C=C\CCCCCC
Systematic name (3)：
- (11Z)-11-オクタデセン酸(2S)-1-(α-D-グルコピラノシルオキシ)-3-(ヘキサデカノイルオキシ)プロパン-2-イル
- (2S)-1-(ヘキサデカノイルオキシ)-3-{[(2S,3R,4S,5S,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}プロパン-2-イル (11Z)-オクタデカ-11-エノアート
- (2S)-1-(hexadecanoyloxy)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (11Z)-octadec-11-enoate
- (11Z)-11-Octadecenoic acid (2S)-1-(α-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propane-2-yl ester
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