Chem
J-GLOBAL ID：200907090686111805   Nikkaji number：J2.086.765E

(3R,5S,7R,10R,11R,13S,15S,16S,17S)-3,10,15-Tris(tert-butyldimethylsilyloxy)-5,7-(isopropylidenedioxy)-7-cyano-11,13-[[(1S)-ethylidene]dioxy]-13,17-epoxy-16-(methoxycarbonyl)-19-oxo-20-(diethoxyphosphinyl)icosanoic acid

(3R,5S,7R,10R,11R,13S,15S,16S,17S)-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-[[(1S)-エチリデン]ジオキシ]-13,17-エポキシ-16-(メトキシカルボニル)-19-オキソ-20-(ジエトキシホスフィニル)イコサン酸
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： C50H94NO16PSi3
Molecular formula furigana： C50-H94-N-O16-P-SI3
Molecular weight： 1080.522
InChI： InChI=1S/C50H94NO16PSi3/c1-22-58-68(56,59-23-2)32-35(52)26-39-43(44(55)57-15)41(66-71(20,21)47(10,11)12)31-50(63-39)30-40(60-34(3)61-50)38(65-70(18,19)46(7,8)9)24-25-49(33-51)29-37(62-48(13,14)67-49)27-36(28-42(53)54)64-69(16,17)45(4,5)6/h34,36-41,43H,22-32H2,1-21H3,(H,53,54)/t34-,36+,37-,38+,39-,40+,41-,43-,49+,50+/m0/s1
InChI key： NGOVGIABIGRQMZ-CCWLWHGLSA-N
SMILES： CCOP(=O)(CC(=O)C[C@@H]1O[C@@]2(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)OC)C[C@@H](O[C@H](C)O2)[C@@H](CC[C@@]1(C[C@H](C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1)C#N)O[Si](C)(C)C(C)(C)C)OCC
Systematic name  (3)：
  • (3R,5S,7R,10R,11R,13S,15S,16S,17S)-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-[[(1S)-エチリデン]ジオキシ]-13,17-エポキシ-16-(メトキシカルボニル)-19-オキソ-20-(ジエトキシホスフィニル)イコサン酸
  • (3R)-3-[(tert-ブチルジメチルシリル)オキシ]-4-[(4S,6R)-6-[(3R)-3-[(tert-ブチルジメチルシリル)オキシ]-3-[(2S,4R,6S,8S,9S,10S)-10-[(tert-ブチルジメチルシリル)オキシ]-8-[3-(ジエトキシホスホリル)-2-オキソプロピル]-9-(メトキシカルボニル)-2-メチル-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]-6-シアノ-2,2-ジメチル-1,3-ジオキサン-4-イル]ブタン酸
  • (3R)-3-[(tert-butyldimethylsilyl)oxy]-4-[(4S,6R)-6-[(3R)-3-[(tert-butyldimethylsilyl)oxy]-3-[(2S,4R,6S,8S,9S,10S)-10-[(tert-butyldimethylsilyl)oxy]-8-[3-(diethoxyphosphoryl)-2-oxopropyl]-9-(methoxycarbonyl)-2-methyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propyl]-6-cyano-2,2-dimethyl-1,3-dioxan-4-yl]butanoic acid
Other name (1)：
  • (3R,5S,7R,10R,11R,13S,15S,16S,17S)-3,10,15-Tris(tert-butyldimethylsilyloxy)-5,7-(isopropylidenedioxy)-7-cyano-11,13-[[(1S)-ethylidene]dioxy]-13,17-epoxy-16-(methoxycarbonyl)-19-oxo-20-(diethoxyphosphinyl)icosanoic acid
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM