Chem
J-GLOBAL ID：201207020655925054   Nikkaji number：J3.014.245D

(2S,3R)-2-Azido-1-(3-O,4-O,6-O-tribenzoyl-α-D-mannopyranosyloxy)-3-icosanol 3-benzoate

(2S,3R)-2-アジド-1-(3-O,4-O,6-O-トリベンゾイル-α-D-マンノピラノシルオキシ)-3-イコサノール3-ベンゾアート
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： C54H67N[N-][N+]O11
Molecular formula furigana： C54-H67-N3-O11
Molecular weight： 934.140
InChI： InChI=1S/C54H67N3O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28-37-45(65-51(60)41-31-22-17-23-32-41)44(56-57-55)38-64-54-47(58)49(68-53(62)43-35-26-19-27-36-43)48(67-52(61)42-33-24-18-25-34-42)46(66-54)39-63-50(59)40-29-20-16-21-30-40/h16-27,29-36,44-49,54,58H,2-15,28,37-39H2,1H3/t44-,45+,46+,47-,48+,49+,54-/m0/s1
InChI key： TWKNZTNYAGGGBV-KAGVJCQSSA-N
SMILES： CCCCCCCCCCCCCCCCC[C@@H](OC(=O)c1ccccc1)[C@H](CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1O)N=[N+]=[N-]
Systematic name  (3)：
  • (2S,3R)-2-アジド-1-(3-O,4-O,6-O-トリベンゾイル-α-D-マンノピラノシルオキシ)-3-イコサノール3-ベンゾアート
  • (2S,3R)-2-アジド-1-{[(2S,3S,4R,5R,6R)-4,5-ビス(ベンゾイルオキシ)-6-[(ベンゾイルオキシ)メチル]-3-ヒドロキシオキサン-2-イル]オキシ}イコサン-3-イル ベンゾアート
  • (2S,3R)-2-azido-1-{[(2S,3S,4R,5R,6R)-4,5-bis(benzoyloxy)-6-[(benzoyloxy)methyl]-3-hydroxyoxan-2-yl]oxy}icosan-3-yl benzoate
Other name (1)：
  • (2S,3R)-2-Azido-1-(3-O,4-O,6-O-tribenzoyl-α-D-mannopyranosyloxy)-3-icosanol 3-benzoate
Thsaurus map：
Thesaurus Map

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