Chem
J-GLOBAL ID:200907018979487807
Nikkaji number:J1.185.569E
6-O-(2-Azido-6-O-benzoyl-3-O-benzyl-2-deoxy-α-D-glucopyranosyl)-1-O-[[(1R)-menthyl]oxycarbonyl]-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol
6-O-(2-アジド-6-O-ベンゾイル-3-O-ベンジル-2-デオキシ-α-D-グルコピラノシル)-1-O-[[(1R)-メンチル]オキシカルボニル]-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
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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:
C49 H65 N[N-][N+]O13
Molecular formula furigana:
C49-H65-N3-O13
Molecular weight:
904.067
InChI:
InChI=1S/C49H65N3O13/c1-29(2)33-21-20-30(3)26-34(33)59-47(55)61-40-39(41-43(64-48(62-41)22-12-6-13-23-48)44-42(40)63-49(65-44)24-14-7-15-25-49)60-46-36(51-52-50)38(56-27-31-16-8-4-9-17-31)37(53)35(58-46)28-57-45(54)32-18-10-5-11-19-32/h4-5,8-11,16-19,29-30,33-44,46,53H,6-7,12-15,20-28H2,1-3H3/t30-,33?,34?,35-,36-,37-,38-,39+,40+,41-,42+,43+,44+,46-/m1/s1
InChI key:
JUSANSPIHXFGBK-CSZOPJFZSA-N
SMILES:
CC(C)C1CC[C@@H](C)CC1OC(=O)O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]1O[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
Systematic name (3):
6-O-(2-アジド-6-O-ベンゾイル-3-O-ベンジル-2-デオキシ-α-D-グルコピラノシル)-1-O-[[(1R)-メンチル]オキシカルボニル]-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
[(2R,3S,4R,5R,6R)-5-アジド-4-(ベンジルオキシ)-3-ヒドロキシ-6-[(1'S,2'R,6'R,7'S,8'R,9'R)-7'-[({[(5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル]オキシ}カルボニル)オキシ]ジスピロ[シクロヘキサン-1,4'-[3,5,10,12]テトラオキサトリシクロ[7.3.0.02,6 ]ドデカン-11',1''-シクロヘキサン]オキシ]オキサン-2-イル]メチル ベンゾアート
[(2R,3S,4R,5R,6R)-5-azido-4-(benzyloxy)-3-hydroxy-6-[(1'S,2'R,6'R,7'S,8'R,9'R)-7'-[({[(5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)oxy]dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.02,6 ]dodecane-11',1''-cyclohexane]oxy]oxan-2-yl]methyl benzoate
Other name (1):
6-O-(2-Azido-6-O-benzoyl-3-O-benzyl-2-deoxy-α-D-glucopyranosyl)-1-O-[[(1R)-menthyl]oxycarbonyl]-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol
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