Chem
J-GLOBAL ID：201307099482315401   Nikkaji number：J3.202.932I

Acremomannolipin A

アクレモマンノリピンA
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： C38H68O15
Molecular formula furigana： C38-H68-O15
Molecular weight： 764.947
InChI： InChI=1S/C38H68O15/c1-5-9-13-14-18-22-32(45)53-37-36(52-31(44)21-17-12-8-4)35(51-30(43)20-16-11-7-3)28(25-48-29(42)19-15-10-6-2)50-38(37)49-24-27(41)34(47)33(46)26(40)23-39/h26-28,33-41,46-47H,5-25H2,1-4H3/t26-,27-,28-,33-,34-,35-,36+,37+,38-/m1/s1
InChI key： KXOHHVVQXCNKBM-QDOWTLGRSA-N
SMILES： CCCCCCCC(=O)O[C@@H]1[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@H](COC(=O)CCCCC)[C@@H](OC(=O)CCCCC)[C@@H]1OC(=O)CCCCC
Systematic name  (3)：
  • 1-O-[(2R,3R,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキシル]-2-O-(オクタノイル)-3-O,4-O,6-O-トリス(ヘキサノイル)-β-D-マンノピラノース
  • (2R,3S,4S,5R,6R)-4,5-ビス(ヘキサノイルオキシ)-6-[(ヘキサノイルオキシ)メチル]-2-{[(2R,3R,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキシル]オキシ}オキサン-3-イル オクタノアート
  • (2R,3S,4S,5R,6R)-4,5-bis(hexanoyloxy)-6-[(hexanoyloxy)methyl]-2-{[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]oxy}oxan-3-yl octanoate
Other name (3)：
  • 1-O-[(2R,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]-2-O-(octanoyl)-3-O,4-O,6-O-tris(hexanoyl)-β-D-mannopyranose
  • アクレモマンノリピンA
  • Acremomannolipin A
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