Chem
J-GLOBAL ID：200907005041047790   Nikkaji number：J2.086.761B

(3R,5S,7R,10R,11R,13S,15S,16S,17S,19R,20E,22E,24E,26E,28E,30E,32E,34S,35R,36S,37S)-3,10,15,35-Tetrakis(tert-butyldimethylsilyloxy)-5,7-(isopropylidenedioxy)-7-cyano-11,13-(ethylidenedioxy)-13,17-epoxy-16-(methoxycarbonyl)-19,37-dihydroxy-34,36-dimethyloctatriaconta-20,22,24,26,28,30,32-heptaenoic acid 1,37-lactone

メチル (1S,5R,6R,9R,13S,15R,19S,20S,21R,22S,37R,39S,40S,41S)-6,15,21,41-テトラキス[(tert-ブチルジメチルシリル)オキシ]-9-シアノ-37-ヒドロキシ-3,11,11,19,20,22-ヘキサメチル-17-オキソ-2,4,10,12,18,43-ヘキサオキサテトラシクロ[37.3.1.11,5.19,13]ペンタテトラコンタ-23,25,27,29,31,33,35-ヘプタエン-40-カルボキシラート
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： C72H125NO14Si4
Molecular formula furigana： C72-H125-N-O14-SI4
Molecular weight： 1341.125
InChI： InChI=1S/C72H125NO14Si4/c1-51-40-38-36-34-32-30-28-29-31-33-35-37-39-41-55(74)44-59-63(65(76)77-19)61(85-90(24,25)68(11,12)13)49-72(82-59)48-60(79-54(4)80-72)58(84-89(22,23)67(8,9)10)42-43-71(50-73)47-57(81-70(17,18)87-71)45-56(83-88(20,21)66(5,6)7)46-62(75)78-53(3)52(2)64(51)86-91(26,27)69(14,15)16/h28-41,51-61,63-64,74H,42-49H2,1-27H3/b29-28-,32-30-,33-31-,36-34-,37-35-,40-38-,41-39-/t51-,52-,53-,54?,55-,56+,57-,58+,59-,60+,61-,63-,64+,71+,72+/m0/s1
InChI key： HLRWUKMOSOPYBS-FSGFFXKCSA-N
SMILES： COC(=O)[C@@H]1[C@H](C[C@]23C[C@@H](OC(C)O2)[C@@H](CC[C@@]2(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=C\[C@H](O)C[C@@H]1O3)O[Si](C)(C)C(C)(C)C)OC(C)(C)O2)C#N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
Systematic name  (3)：
  • (3R,5S,7R,10R,11R,13S,15S,16S,17S,19R,20E,22E,24E,26E,28E,30E,32E,34S,35R,36S,37S)-3,10,15,35-テトラキス(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-(メトキシカルボニル)-19,37-ジヒドロキシ-34,36-ジメチルオクタトリアコンタ-20,22,24,26,28,30,32-ヘプタエン酸1,37-ラクトン
  • メチル (1S,5R,6R,9R,13S,15R,19S,20S,21R,22S,37R,39S,40S,41S)-6,15,21,41-テトラキス[(tert-ブチルジメチルシリル)オキシ]-9-シアノ-37-ヒドロキシ-3,11,11,19,20,22-ヘキサメチル-17-オキソ-2,4,10,12,18,43-ヘキサオキサテトラシクロ[37.3.1.11,5.19,13]ペンタテトラコンタ-23,25,27,29,31,33,35-ヘプタエン-40-カルボキシラート
  • methyl (1S,5R,6R,9R,13S,15R,19S,20S,21R,22S,37R,39S,40S,41S)-6,15,21,41-tetrakis[(tert-butyldimethylsilyl)oxy]-9-cyano-37-hydroxy-3,11,11,19,20,22-hexamethyl-17-oxo-2,4,10,12,18,43-hexaoxatetracyclo[37.3.1.11,5.19,13]pentatetraconta-23,25,27,29,31,33,35-heptaene-40-carboxylate
Other name (1)：
  • (3R,5S,7R,10R,11R,13S,15S,16S,17S,19R,20E,22E,24E,26E,28E,30E,32E,34S,35R,36S,37S)-3,10,15,35-Tetrakis(tert-butyldimethylsilyloxy)-5,7-(isopropylidenedioxy)-7-cyano-11,13-(ethylidenedioxy)-13,17-epoxy-16-(methoxycarbonyl)-19,37-dihydroxy-34,36-dimethyloctatriaconta-20,22,24,26,28,30,32-heptaenoic acid 1,37-lactone
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