Chem
J-GLOBAL ID：200907066236439306   Nikkaji number：J1.257.618H

S-365A

S-365A
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： C47H88O15
Molecular formula furigana： C47-H88-O15
Molecular weight： 893.206
InChI： InChI=1S/C47H88O15/c1-5-33(3)25-21-17-13-9-7-8-10-15-19-23-27-38(50)57-30-35(49)31-59-46-44(56)45(62-47-43(55)42(54)40(52)36(29-48)60-47)41(53)37(61-46)32-58-39(51)28-24-20-16-12-11-14-18-22-26-34(4)6-2/h33-37,40-49,52-56H,5-32H2,1-4H3/t33?,34?,35-,36+,37+,40+,41+,42-,43-,44-,45-,46-,47+/m0/s1
InChI key： PAXYGFYZRDUVNE-DGEJZXDWSA-N
SMILES： CCC(C)CCCCCCCCCCCCC(=O)OC[C@H](O)CO[C@H]1O[C@H](COC(=O)CCCCCCCCCCC(C)CC)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
Systematic name  (3)：
  • 1-O-(3-O-α-D-マンノピラノシル-6-O-(12-メチルテトラデカノイル)-α-D-マンノピラノシル)-3-O-(14-メチルヘキサデカノイル)-L-グリセロール
  • (2R)-3-{[(2S,3S,4S,5R,6R)-3,5-ジヒドロキシ-6-{[(12-メチルテトラデカノイル)オキシ]メチル}-4-{[(2R,3S,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}オキサン-2-イル]オキシ}-2-ヒドロキシプロピル 14-メチルヘキサデカノアート
  • (2R)-3-{[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-{[(12-methyltetradecanoyl)oxy]methyl}-4-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxypropyl 14-methylhexadecanoate
Other name (2)：
  • 1-O-(3-O-α-D-Mannopyranosyl-6-O-(12-methyltetradecanoyl)-α-D-mannopyranosyl)-3-O-(14-methylhexadecanoyl)-L-glycerol
  • S-365A
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