Chem
J-GLOBAL ID：200907089642684869
Nikkaji number：J624.345B
7-Xylosyl-10-deacetyltaxol C
7-キシロシル-10-デアセチルタキソールC
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
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
Molecular formula： C49H63NO17
Molecular formula furigana： C49-H63-N-O17
Molecular weight： 938.033
InChI：
InChI=1S/C49H63NO17/c1-7-8-11-20-33(53)50-35(27-16-12-9-13-17-27)38(56)44(60)64-30-22-49(61)42(66-43(59)28-18-14-10-15-19-28)40-47(6,41(58)37(55)34(25(30)2)46(49,4)5)31(21-32-48(40,24-63-32)67-26(3)51)65-45-39(57)36(54)29(52)23-62-45/h9-10,12-19,29-32,35-40,42,45,52,54-57,61H,7-8,11,20-24H2,1-6H3,(H,50,53)/t29-,30+,31+,32-,35+,36+,37-,38-,39-,40+,42+,45+,47-,48+,49-/m1/s1
InChI key：
XGWGQEYABFGJID-UVDBIDMBSA-N
SMILES：
CCCCCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(=O)C)c1ccccc1
Systematic name (4)：
- (1S)-4-アセトキシ-2α-(ベンゾイルオキシ)-5β,20-エポキシ-1,10β-ジヒドロキシ-13α-[[(2R,3S)-2-ヒドロキシ-3-フェニル-3-(ヘキサノイルアミノ)プロパノイル]オキシ]-7β-(β-D-キシロピラノシルオキシ)タキサ-11-エン-9-オン
- (1S)-4-アセトキシ-2α-(ベンゾイルオキシ)-5β,20-エポキシ-7β-(β-D-キシロピラノシルオキシ)-1,10β-ジヒドロキシ-13α-[[(2R,3S)-2-ヒドロキシ-3-フェニル-3-(ヘキサノイルアミノ)プロパノイル]オキシ]タキサ-11-エン-9-オン
- (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(アセチルオキシ)-15-{[(2R,3S)-3-ヘキサンアミド-2-ヒドロキシ-3-フェニルプロパノイル]オキシ}-1,12-ジヒドロキシ-10,14,17,17-テトラメチル-11-オキソ-9-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-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-(acetyloxy)-15-{[(2R,3S)-3-hexanamido-2-hydroxy-3-phenylpropanoyl]oxy}-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
- 7-キシロシル-10-デアセチルタキソールC
- 7-Xylosyl-10-deacetyltaxol C
- (1S)-4-Acetoxy-2α-(benzoyloxy)-5β,20-epoxy-1,10β-dihydroxy-13α-[[(2R,3S)-2-hydroxy-3-phenyl-3-(hexanoylamino)propanoyl]oxy]-7β-(β-D-xylopyranosyloxy)tax-11-en-9-one
- (1S)-4-Acetoxy-2α-(benzoyloxy)-5β,20-epoxy-7β-(β-D-xylopyranosyloxy)-1,10β-dihydroxy-13α-[[(2R,3S)-2-hydroxy-3-phenyl-3-(hexanoylamino)propanoyl]oxy]taxa-11-ene-9-one
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