Chem
J-GLOBAL ID：200907041451770711   Nikkaji number：J2.086.766C

(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 (1S,2S,3R,4S,5E,7E,9E,11E,13E,15E)-1,2,4-trimethyl-3-(tert-butyldimethylsilyloxy)-17-oxo-5,7,9,11,13,15-heptadecahexenyl ester

(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(1S,2S,3R,4S,5E,7E,9E,11E,13E,15E)-1,2,4-トリメチル-3-(tert-ブチルジメチルシリルオキシ)-17-オキソ-5,7,9,11,13,15-ヘプタデカヘキサエニル
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： C76H134NO18PSi4
Molecular formula furigana： C76-H134-N-O18-P-SI4
Molecular weight： 1493.211
InChI： InChI=1S/C76H134NO18PSi4/c1-30-84-96(82,85-31-2)53-59(79)47-63-67(69(81)83-21)65(93-99(26,27)72(13,14)15)52-76(90-63)51-64(87-58(6)88-76)62(92-98(24,25)71(10,11)12)44-45-75(54-77)50-61(89-74(19,20)95-75)48-60(91-97(22,23)70(7,8)9)49-66(80)86-57(5)56(4)68(94-100(28,29)73(16,17)18)55(3)43-41-39-37-35-33-32-34-36-38-40-42-46-78/h32-43,46,55-58,60-65,67-68H,30-31,44-45,47-53H2,1-29H3/b34-32+,35-33+,38-36+,39-37+,42-40+,43-41+/t55-,56-,57-,58-,60+,61-,62+,63-,64+,65-,67-,68+,75+,76+/m0/s1
InChI key： FRGWPHDWYZTJTK-XYGMOMSHSA-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[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=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(1S,2S,3R,4S,5E,7E,9E,11E,13E,15E)-1,2,4-トリメチル-3-(tert-ブチルジメチルシリルオキシ)-17-オキソ-5,7,9,11,13,15-ヘプタデカヘキサエニル
  • メチル (2S,4R,6S,8S,9S,10S)-10-[(tert-ブチルジメチルシリル)オキシ]-4-[(1R)-1-[(tert-ブチルジメチルシリル)オキシ]-3-[(4R,6S)-6-[(2R)-2-[(tert-ブチルジメチルシリル)オキシ]-4-{[(2S,3S,4R,5S,6E,8E,10E,12E,14E,16E)-4-[(tert-ブチルジメチルシリル)オキシ]-3,5-ジメチル-18-オキソオクタデカ-6,8,10,12,14,16-ヘキサエン-2-イル]オキシ}-4-オキソブチル]-4-シアノ-2,2-ジメチル-1,3-ジオキサン-4-イル]プロピル]-8-[3-(ジエトキシホスホリル)-2-オキソプロピル]-2-メチル-1,3,7-トリオキサスピロ[5.5]ウンデカン-9-カルボキシラート
  • methyl (2S,4R,6S,8S,9S,10S)-10-[(tert-butyldimethylsilyl)oxy]-4-[(1R)-1-[(tert-butyldimethylsilyl)oxy]-3-[(4R,6S)-6-[(2R)-2-[(tert-butyldimethylsilyl)oxy]-4-{[(2S,3S,4R,5S,6E,8E,10E,12E,14E,16E)-4-[(tert-butyldimethylsilyl)oxy]-3,5-dimethyl-18-oxooctadeca-6,8,10,12,14,16-hexaen-2-yl]oxy}-4-oxobutyl]-4-cyano-2,2-dimethyl-1,3-dioxan-4-yl]propyl]-8-[3-(diethoxyphosphoryl)-2-oxopropyl]-2-methyl-1,3,7-trioxaspiro[5.5]undecane-9-carboxylate
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 (1S,2S,3R,4S,5E,7E,9E,11E,13E,15E)-1,2,4-trimethyl-3-(tert-butyldimethylsilyloxy)-17-oxo-5,7,9,11,13,15-heptadecahexenyl ester
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