Chem
J-GLOBAL ID：200907054855889598   Nikkaji number：J1.185.567I

1-O-(1-O,2-O-Dihexadecanoyl-L-glycero-3-phospho)-6-O-[4-O-α-D-mannopyranosyl-6-amino-2-(tert-butoxycarbonylamino)-2,6-dideoxy-α-D-glucopyranosyl]-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol

1-O-(1-O,2-O-ジヘキサデカノイル-L-グリセロ-3-ホスホ)-6-O-[4-O-α-D-マンノピラノシル-6-アミノ-2-(tert-ブトキシカルボニルアミノ)-2,6-ジデオキシ-α-D-グルコピラノシル]-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
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： C70H125N2O23P
Molecular formula furigana： C70-H125-N2-O23-P
Molecular weight： 1393.735
InChI： InChI=1S/C70H125N2O23P/c1-6-8-10-12-14-16-18-20-22-24-26-28-32-38-51(74)83-46-48(85-52(75)39-33-29-27-25-23-21-19-17-15-13-11-9-7-2)47-84-96(81,82)95-64-59(60-61(91-69(90-60)40-34-30-35-41-69)62-63(64)93-70(92-62)42-36-31-37-43-70)89-65-53(72-67(80)94-68(3,4)5)55(77)58(49(44-71)86-65)88-66-57(79)56(78)54(76)50(45-73)87-66/h48-50,53-66,73,76-79H,6-47,71H2,1-5H3,(H,72,80)(H,81,82)/t48-,49-,50-,53-,54-,55-,56+,57+,58-,59-,60-,61+,62-,63-,64+,65-,66-/m1/s1
InChI key： GUROGZACKZMELG-SCIBSVDNSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(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](CN)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1NC(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3)：
  • 1-O-(1-O,2-O-ジヘキサデカノイル-L-グリセロ-3-ホスホ)-6-O-[4-O-α-D-マンノピラノシル-6-アミノ-2-(tert-ブトキシカルボニルアミノ)-2,6-ジデオキシ-α-D-グルコピラノシル]-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
  • [(1'S,2'R,6'R,7'S,8'R,9'R)-8'-{[(2R,3R,4R,5S,6R)-6-(アミノメチル)-3-{[(tert-ブトキシ)カルボニル]アミノ}-4-ヒドロキシ-5-{[(2R,3S,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}オキサン-2-イル]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]-7'-イルオキシ][(2R)-2,3-ビス(ヘキサデカノイルオキシ)プロポキシ]ホスフィン酸
  • [(1'S,2'R,6'R,7'S,8'R,9'R)-8'-{[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxy-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.02,6]dodecane-11',1''-cyclohexan]-7'-yloxy][(2R)-2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid
Other name (1)：
  • 1-O-(1-O,2-O-Dihexadecanoyl-L-glycero-3-phospho)-6-O-[4-O-α-D-mannopyranosyl-6-amino-2-(tert-butoxycarbonylamino)-2,6-dideoxy-α-D-glucopyranosyl]-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol
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