Chem
J-GLOBAL ID:200907091550942556   Nikkaji number:J624.351G

7-epi-Taxol

7-epi-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: C47H51NO14
Molecular formula furigana: C47-H51-N-O14
Molecular weight: 853.918
InChI: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32+,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
InChI key: RCINICONZNJXQF-LYTKHFMESA-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](NC(=O)c1ccccc1)c1ccccc1
Systematic name  (4):
  • (αR,βS)-β-(ベンゾイルアミノ)-α-ヒドロキシベンゼンプロパン酸[(2aR,11S)-6α,12bβ-ジアセトキシ-12β-ベンゾイルオキシ-2aβ,3,4,4a,5,6,9,10,11,12,12aβ,12b-ドデカヒドロ-4β,11-ジヒドロキシ-4aα,8,13,13-テトラメチル-5-オキソ-7,11-メタノ-1H-シクロデカ[3,4]ベンゾ[1,2-b]オキセト]-9β-イル
  • (2R,3S)-3-(ベンゾイルアミノ)-2-ヒドロキシ-3-フェニルプロピオン酸1,7α-ジヒドロキシ-2α-(ベンゾイルオキシ)-4,10β-ジアセトキシ-9-オキソ-5β,20-エポキシタキサ-11-エン-13α-イル
  • (1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-ビス(アセチルオキシ)-1,9-ジヒドロキシ-15-{[(2R,3S)-2-ヒドロキシ-3-フェニル-3-(フェニルホルムアミド)プロパノイル]オキシ}-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,9R,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
Other name (8):
  • 7-epi-パクリタキセル
  • 7-epi-Paclitaxel
  • 7-epi-タキソール
  • 7-epi-Taxol
  • (αR,βS)-β-(Benzoylamino)-α-hydroxybenzenepropanoic acid [(2aR,11S)-6α,12bβ-diacetoxy-12β-benzoyloxy-2aβ,3,4,4a,5,6,9,10,11,12,12aβ,12b-dodecahydro-4β,11-dihydroxy-4aα,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet]-9β-yl ester
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