Chem
J-GLOBAL ID：200907012850320940   Nikkaji number：J1.349.282D

(1S)-4α,10β-Bis(acetoxy)-7β-(triethylsiloxy)-5β,20-epoxy-1-hydroxy-13α,2α-[[(2R,3S,6E)-1,10-dioxo-2-(triethylsiloxy)-3-(tert-butoxycarbonylamino)-6-decene-1,10-diyl]bisoxy]taxa-11-ene-9-one

(1S)-4α,10β-ビス(アセトキシ)-7β-(トリエチルシロキシ)-5β,20-エポキシ-1-ヒドロキシ-13α,2α-[[(2R,3S,6E)-1,10-ジオキソ-2-(トリエチルシロキシ)-3-(tert-ブトキシカルボニルアミノ)-6-デセン-1,10-ジイル]ビスオキシ]タキサ-11-エン-9-オン
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： C51H83NO15Si2
Molecular formula furigana： C51-H83-N-O15-SI2
Molecular weight： 1006.387
InChI： InChI=1S/C51H83NO15Si2/c1-16-68(17-2,18-3)66-36-28-37-50(30-60-37,64-33(9)54)42-44-51(59)29-35(31(7)39(48(51,13)14)41(61-32(8)53)43(56)49(36,42)15)62-45(57)40(67-69(19-4,20-5)21-6)34(52-46(58)65-47(10,11)12)26-24-22-23-25-27-38(55)63-44/h22-23,34-37,40-42,44,59H,16-21,24-30H2,1-15H3,(H,52,58)/b23-22+/t34-,35?,36-,37+,40+,41+,42-,44-,49+,50-,51+/m0/s1
InChI key： XKXRFHGMXVCWSX-UPIUSVOPSA-N
SMILES： CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]2[C@@H]3OC(=O)CC/C=C/CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O[Si](CC)(CC)CC)C(=O)O[C@H]4C[C@]3(O)C(C)(C)C(=C4C)[C@@H](OC(=O)C)C(=O)[C@]12C
Systematic name  (3)：
  • (1S)-4α,10β-ビス(アセトキシ)-7β-(トリエチルシロキシ)-5β,20-エポキシ-1-ヒドロキシ-13α,2α-[[(2R,3S,6E)-1,10-ジオキソ-2-(トリエチルシロキシ)-3-(tert-ブトキシカルボニルアミノ)-6-デセン-1,10-ジイル]ビスオキシ]タキサ-11-エン-9-オン
  • (2R,4S,5S,7R,10S,11R,12S,17E,21S,22R,25S,27S)-2-(アセチルオキシ)-21-{[(tert-ブトキシ)カルボニル]アミノ}-27-ヒドロキシ-4,28,28,29-テトラメチル-3,14,23-トリオキソ-5,22-ビス[(トリエチルシリル)オキシ]-8,13,24-トリオキサペンタシクロ[23.3.1.04,11.07,10.012,27]ノナコサ-1(29),17-ジエン-10-イル アセタート
  • (2R,4S,5S,7R,10S,11R,12S,17E,21S,22R,25S,27S)-2-(acetyloxy)-21-{[(tert-butoxy)carbonyl]amino}-27-hydroxy-4,28,28,29-tetramethyl-3,14,23-trioxo-5,22-bis[(triethylsilyl)oxy]-8,13,24-trioxapentacyclo[23.3.1.04,11.07,10.012,27]nonacosa-1(29),17-dien-10-yl acetate
Other name (1)：
  • (1S)-4α,10β-Bis(acetoxy)-7β-(triethylsiloxy)-5β,20-epoxy-1-hydroxy-13α,2α-[[(2R,3S,6E)-1,10-dioxo-2-(triethylsiloxy)-3-(tert-butoxycarbonylamino)-6-decene-1,10-diyl]bisoxy]taxa-11-ene-9-one
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