Chem
J-GLOBAL ID：200907010776855656   Nikkaji number：J2.086.762K

(3S,5S,7R,10R,11R,13S,15S,16S,17S)-1-(Benzyloxy)-3,10,15-tris(tert-butyldimethylsilyloxy)-5,7-(isopropylidenedioxy)-7-cyano-11,13-(ethylidenedioxy)-13,17-epoxy-16-vinyl-19-icosene

(3S,5S,7R,10R,11R,13S,15S,16S,17S)-1-(ベンジルオキシ)-3,10,15-トリス(tert-ブチルジメチルシリルオキシ)-5,7-(イソプロピリデンジオキシ)-7-シアノ-11,13-(エチリデンジオキシ)-13,17-エポキシ-16-ビニル-19-イコセン
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： C53H93NO9Si3
Molecular formula furigana： C53-H93-N-O9-SI3
Molecular weight： 972.580
InChI： InChI=1S/C53H93NO9Si3/c1-21-26-44-43(22-2)46(62-66(19,20)50(10,11)12)35-53(59-44)36-47(56-39(3)57-53)45(61-65(17,18)49(7,8)9)29-31-52(38-54)34-42(58-51(13,14)63-52)33-41(60-64(15,16)48(4,5)6)30-32-55-37-40-27-24-23-25-28-40/h21-25,27-28,39,41-47H,1-2,26,29-37H2,3-20H3/t39?,41-,42-,43-,44-,45+,46-,47+,52+,53-/m0/s1
InChI key： IKQUPTLTXGEVJZ-WZEAECIBSA-N
SMILES： CC1O[C@H](C[C@@]2(C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=C)[C@H](CC=C)O2)O1)[C@@H](CC[C@@]1(C[C@H](C[C@H](CCOCc2ccccc2)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1)C#N)O[Si](C)(C)C(C)(C)C
Systematic name  (3)：
  • (3S,5S,7R,10R,11R,13S,15S,16S,17S)-1-(ベンジルオキシ)-3,10,15-トリス(tert-ブチルジメチルシリルオキシ)-5,7-(イソプロピリデンジオキシ)-7-シアノ-11,13-(エチリデンジオキシ)-13,17-エポキシ-16-ビニル-19-イコセン
  • (4R,6S)-6-[(2S)-4-(ベンジルオキシ)-2-[(tert-ブチルジメチルシリル)オキシ]ブチル]-4-[(3R)-3-[(tert-ブチルジメチルシリル)オキシ]-3-[(4R,6S,8S,9S,10S)-10-[(tert-ブチルジメチルシリル)オキシ]-9-エテニル-2-メチル-8-(プロパ-2-エン-1-イル)-1,3,7-トリオキサスピロ[5.5]ウンデカン-4-イル]プロピル]-2,2-ジメチル-1,3-ジオキサン-4-カルボニトリル
  • (4R,6S)-6-[(2S)-4-(benzyloxy)-2-[(tert-butyldimethylsilyl)oxy]butyl]-4-[(3R)-3-[(tert-butyldimethylsilyl)oxy]-3-[(4R,6S,8S,9S,10S)-10-[(tert-butyldimethylsilyl)oxy]-9-ethenyl-2-methyl-8-(prop-2-en-1-yl)-1,3,7-trioxaspiro[5.5]undecan-4-yl]propyl]-2,2-dimethyl-1,3-dioxane-4-carbonitrile
Other name (1)：
  • (3S,5S,7R,10R,11R,13S,15S,16S,17S)-1-(Benzyloxy)-3,10,15-tris(tert-butyldimethylsilyloxy)-5,7-(isopropylidenedioxy)-7-cyano-11,13-(ethylidenedioxy)-13,17-epoxy-16-vinyl-19-icosene
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