Chem
J-GLOBAL ID:200907027715725636   Nikkaji number:J1.690.781B

Bonaroside

ボナロシド
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: C40H77NO10
Molecular formula furigana: C40-H77-N-O10
Molecular weight: 732.053
InChI: InChI=1S/C40H77NO10/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-28-35(45)41-32(30-50-40-39(49)38(48)37(47)34(29-42)51-40)36(46)33(44)27-23-19-17-18-22-26-31(43)25-21-8-6-4-2/h11-12,31-34,36-40,42-44,46-49H,3-10,13-30H2,1-2H3,(H,41,45)/t31?,32?,33?,34-,36?,37-,38+,39-,40-/m1/s1
InChI key: KNARYUCFPVYOGC-UJGNFMHDSA-N
SMILES: CCCCCCC=CCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)C(O)CCCCCCCC(O)CCCCCC
Systematic name  (3):
  • N-[1-(β-D-グルコピラノシルオキシメチル)-2,3,11-トリヒドロキシヘプタデシル]-9-ヘキサデセンアミド
  • N-(3,4,12-トリヒドロキシ-1-{[(2R,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}オクタデカン-2-イル)ヘキサデカ-9-エンアミド
  • N-(3,4,12-trihydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadecan-2-yl)hexadec-9-enamide
Other name (3):
  • N-[1-(β-D-Glucopyranosyloxymethyl)-2,3,11-trihydroxyheptadecyl]-9-hexadecenamide
  • ボナロシド
  • Bonaroside
CAS registry number: 381720-37-2
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