Chem
J-GLOBAL ID:200907074219348600   Nikkaji number:J631.874F

N-Debenzoyltaxol

N-デベンゾイルタキソール
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: C40H47NO13
Molecular formula furigana: C40-H47-N-O13
Molecular weight: 749.810
InChI: InChI=1S/C40H47NO13/c1-20-25(52-36(48)30(45)29(41)23-13-9-7-10-14-23)18-40(49)34(53-35(47)24-15-11-8-12-16-24)32-38(6,26(44)17-27-39(32,19-50-27)54-22(3)43)33(46)31(51-21(2)42)28(20)37(40,4)5/h7-16,25-27,29-32,34,44-45,49H,17-19,41H2,1-6H3/t25-,26-,27+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1
InChI key: DLACRDONFBNRSP-KWIOUIIFSA-N
SMILES: CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](N)c1ccccc1
Systematic name  (4):
  • (1S)-4,10β-ビス(アセトキシ)-2α-(ベンゾイルオキシ)-5β,20-エポキシ-1,7β-ジヒドロキシ-13α-[[(2R,3S)-3-アミノ-2-ヒドロキシ-3-フェニルプロピオニル]オキシ]タキサ-11-エン-9-オン
  • (1S)-4,10β-ジアセトキシ-13α-[[(2R,3S)-3-アミノ-2-ヒドロキシ-3-フェニルプロパノイル]オキシ]-2α-(ベンゾイルオキシ)-1,7β-ジヒドロキシ-5β,20-エポキシタキサ-11-エン-9-オン
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-ビス(アセチルオキシ)-15-{[(2R,3S)-3-アミノ-2-ヒドロキシ-3-フェニルプロパノイル]オキシ}-1,9-ジヒドロキシ-10,14,17,17-テトラメチル-11-オキソ-6-オキサテトラシクロ[11.3.1.03,10.04,7]ヘプタデカ-13-エン-2-イル ベンゾアート
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy}-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
Other name (7):
  • N-デベンゾイルタキソール
  • N-Debenzoyltaxol
  • (1S)-4,10β-Bis(acetoxy)-2α-(benzoyloxy)-5β,20-epoxy-1,7β-dihydroxy-13α-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropionyl]oxy]tax-11-en-9-one
  • (1S)-4,10β-Diacetoxy-13α-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-2α-(benzoyloxy)-1,7β-dihydroxy-5β,20-epoxytaxa-11-ene-9-one
  • 3′-N-Debenzoyltaxol
Show all
CAS registry number: 133524-70-6
KEGG COMPOUND: C16524
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