Chem
J-GLOBAL ID：200907056516050646   Nikkaji number：J2.657.873F

(1R,3R,6R,7E,9R,10S,12Z,14R,15R,18S,20R,23R,25S,27R)-9,12,20-Trimethyl-15-(tert-butyldimethylsiloxy)-20-(methylthiomethoxy)-24-methylene-25-[(1S,3S,4S,5R,8S)-1-(tert-butyldimethylsiloxy)-3,5-dimethyl-4,8:8,12-diepoxydodecane-1-yl]-3,27-ethano-3,6:10,14:14,18-triepoxy-2,22,26-trioxabicyclo[21.4.0]heptacosane-7,12-diene-21-one

(1R,3R,6R,7E,9R,10S,12Z,14R,15R,18S,20R,23R,25S,27R)-9,12,20-トリメチル-15-(tert-ブチルジメチルシロキシ)-20-(メチルチオメトキシ)-24-メチレン-25-[(1S,3S,4S,5R,8S)-1-(tert-ブチルジメチルシロキシ)-3,5-ジメチル-4,8:8,12-ジエポキシドデカン-1-イル]-3,27-エタノ-3,6:10,14:14,18-トリエポキシ-2,22,26-トリオキサビシクロ[21.4.0]ヘプタコサン-7,12-ジエン-21-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： C58H98O12SSi2
Molecular formula furigana： C58-H98-O12-S-SI2
Molecular weight： 1075.640
InChI： InChI=1S/C58H98O12SSi2/c1-37-32-45-38(2)20-21-42-25-29-57(64-42)30-26-44-51(68-57)50(63-52(59)55(12,61-36-71-13)35-43-22-23-47(58(34-37,65-43)66-45)70-73(16,17)54(9,10)11)41(5)49(62-44)46(69-72(14,15)53(6,7)8)33-40(4)48-39(3)24-28-56(67-48)27-18-19-31-60-56/h20-21,34,38-40,42-51H,5,18-19,22-33,35-36H2,1-4,6-17H3/b21-20-/t38-,39-,40+,42+,43+,44-,45+,46+,47-,48+,49+,50-,51-,55-,56+,57-,58-/m1/s1
InChI key： VRHMCBCMKGSUDR-DGLRXCMDSA-N
SMILES： CSCO[C@]1(C)C[C@@H]2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]3(O2)O[C@@H](CC(=C3)C)[C@H](C)/C=C\[C@H]2CC[C@@]3(CC[C@H]4O[C@H]([C@H](C[C@H](C)[C@H]5O[C@@]6(CCCCO6)CC[C@H]5C)O[Si](C)(C)C(C)(C)C)C(=C)[C@@H](OC1=O)[C@@H]4O3)O2
Systematic name  (3)：
  • (1R,3R,6R,7E,9R,10S,12Z,14R,15R,18S,20R,23R,25S,27R)-9,12,20-トリメチル-15-(tert-ブチルジメチルシロキシ)-20-(メチルチオメトキシ)-24-メチレン-25-[(1S,3S,4S,5R,8S)-1-(tert-ブチルジメチルシロキシ)-3,5-ジメチル-4,8:8,12-ジエポキシドデカン-1-イル]-3,27-エタノ-3,6:10,14:14,18-トリエポキシ-2,22,26-トリオキサビシクロ[21.4.0]ヘプタコサン-7,12-ジエン-21-オン
  • (1R,4R,7R,8S,12R,13R,16S,18R,21R,23S,25R,29R)-13-[(tert-ブチルジメチルシリル)オキシ]-23-[(1S,3S)-1-[(tert-ブチルジメチルシリル)オキシ]-3-[(2S,3R,6S)-3-メチル-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]ブチル]-7,10,18-トリメチル-22-メチリデン-18-[(メチルスルファニル)メトキシ]-20,24,28,30,31,32-ヘキサオキサヘキサシクロ[19.6.2.11,4.18,12.112,16.025,29]ドトリアコンタ-5,10-ジエン-19-オン
  • (1R,4R,7R,8S,12R,13R,16S,18R,21R,23S,25R,29R)-13-[(tert-butyldimethylsilyl)oxy]-23-[(1S,3S)-1-[(tert-butyldimethylsilyl)oxy]-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7,10,18-trimethyl-22-methylidene-18-[(methylsulfanyl)methoxy]-20,24,28,30,31,32-hexaoxahexacyclo[19.6.2.11,4.18,12.112,16.025,29]dotriaconta-5,10-dien-19-one
Other name (1)：
  • (1R,3R,6R,7E,9R,10S,12Z,14R,15R,18S,20R,23R,25S,27R)-9,12,20-Trimethyl-15-(tert-butyldimethylsiloxy)-20-(methylthiomethoxy)-24-methylene-25-[(1S,3S,4S,5R,8S)-1-(tert-butyldimethylsiloxy)-3,5-dimethyl-4,8:8,12-diepoxydodecane-1-yl]-3,27-ethano-3,6:10,14:14,18-triepoxy-2,22,26-trioxabicyclo[21.4.0]heptacosane-7,12-diene-21-one
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