Chem
J-GLOBAL ID：201207022559004889   Nikkaji number：J3.011.805G

1,18-Bis(2-O,3-O,4-O-triacetyl-β-D-xylopyranosyloxy)-9-octadecene

1,18-ビス(2-O,3-O,4-O-トリアセチル-β-D-キシロピラノシルオキシ)-9-オクタデセン
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： C40H64O16
Molecular formula furigana： C40-H64-O16
Molecular weight： 800.936
InChI： InChI=1S/C40H64O16/c1-27(41)51-33-25-49-39(37(55-31(5)45)35(33)53-29(3)43)47-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-48-40-38(56-32(6)46)36(54-30(4)44)34(26-50-40)52-28(2)42/h7-8,33-40H,9-26H2,1-6H3/t33-,34-,35+,36+,37-,38-,39-,40-/m1/s1
InChI key： SSBYRATXQOUMSD-CQWAZIFKSA-N
SMILES： CC(=O)O[C@@H]1CO[C@@H](OCCCCCCCCC=CCCCCCCCCO[C@@H]2OC[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3)：
  • 1,18-ビス(2-O,3-O,4-O-トリアセチル-β-D-キシロピラノシルオキシ)-9-オクタデセン
  • (2R,3R,4S,5R)-4,5-ビス(アセチルオキシ)-2-[(18-{[(2R,3R,4S,5R)-3,4,5-トリス(アセチルオキシ)オキサン-2-イル]オキシ}オクタデカ-9-エン-1-イル)オキシ]オキサン-3-イル アセタート
  • (2R,3R,4S,5R)-4,5-bis(acetyloxy)-2-[(18-{[(2R,3R,4S,5R)-3,4,5-tris(acetyloxy)oxan-2-yl]oxy}octadec-9-en-1-yl)oxy]oxan-3-yl acetate
Other name (1)：
  • 1,18-Bis(2-O,3-O,4-O-triacetyl-β-D-xylopyranosyloxy)-9-octadecene
Thsaurus map：
Thesaurus Map

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