Chem
J-GLOBAL ID:201107084020416014   Nikkaji number:J2.912.184B

(2R,3S)-2-Hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropanoic acid 4,7β,9α-triacetoxy-10β-(benzoyloxy)-5β,20-epoxy-15,16,17-trinortaxa-1,11-diene-13α-yl ester

(2R,3S)-2-ヒドロキシ-3-(tert-ブトキシカルボニルアミノ)-3-フェニルプロパン酸4,7β,9α-トリアセトキシ-10β-(ベンゾイルオキシ)-5β,20-エポキシ-15,16,17-トリノルタキサ-1,11-ジエン-13α-イル
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: C44H51NO14
Molecular formula furigana: C44-H51-N-O14
Molecular weight: 817.885
InChI: InChI=1S/C44H51NO14/c1-23-30(56-40(51)36(49)35(27-15-11-9-12-16-27)45-41(52)59-42(5,6)7)19-29-20-31-43(8,32(54-24(2)46)21-33-44(31,22-53-33)58-26(4)48)38(55-25(3)47)37(34(23)29)57-39(50)28-17-13-10-14-18-28/h9-18,20,30-33,35-38,49H,19,21-22H2,1-8H3,(H,45,52)/t30-,31-,32-,33+,35-,36+,37+,38-,43-,44+/m0/s1
InChI key: ADCIVURMNHHJFN-WVNHNBSESA-N
SMILES: CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]2C=C3C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)C)[C@]12C)C
Systematic name  (3):
  • (2R,3S)-2-ヒドロキシ-3-(tert-ブトキシカルボニルアミノ)-3-フェニルプロパン酸4,7β,9α-トリアセトキシ-10β-(ベンゾイルオキシ)-5β,20-エポキシ-15,16,17-トリノルタキサ-1,11-ジエン-13α-イル
  • (1S,5S,8R,9R,10S,11S,13R,16S)-9,11,16-トリス(アセチルオキシ)-5-{[(2R,3S)-3-{[(tert-ブトキシ)カルボニル]アミノ}-2-ヒドロキシ-3-フェニルプロパノイル]オキシ}-6,10-ジメチル-14-オキサテトラシクロ[8.6.0.03,7.013,16]ヘキサデカ-2,6-ジエン-8-イル ベンゾアート
  • (1S,5S,8R,9R,10S,11S,13R,16S)-9,11,16-tris(acetyloxy)-5-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadeca-2,6-dien-8-yl benzoate
Other name (1):
  • (2R,3S)-2-Hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropanoic acid 4,7β,9α-triacetoxy-10β-(benzoyloxy)-5β,20-epoxy-15,16,17-trinortaxa-1,11-diene-13α-yl ester
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