Chem
J-GLOBAL ID:200907041289917428   Nikkaji number:J1.665.117F

(4S,5E)-1-[[(2R)-3β,4α-Bis(4-methoxybenzyloxy)-5β-methyl-6α-[(S)-[[(2R)-2-methoxy-4α-(tert-butyldimethylsiloxy)-5β-methyl-6β-(4-chlorobutyl)tetrahydro-2H-pyran]-2β-yl](4-methoxybenzyloxy)methyl]tetrahydro-2H-pyran]-2α-yl]-4-hydroxy-7-chloro-5,7-octadiene-2-one

(4S,5E)-1-[(2R,3R,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[(tert-ブチルジメチルシリル)オキシ]-6-(4-クロロブチル)-2-メトキシ-5-メチルオキサン-2-イル][(4-メトキシフェニル)メトキシ]メチル]-3,4-ビス[(4-メトキシフェニル)メトキシ]-5-メチルオキサン-2-イル]-7-クロロ-4-ヒドロキシオクタ-5,7-ジエン-2-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: C56H80Cl2O12Si
Molecular formula furigana: C56-H80-CL2-O12-SI
Molecular weight: 1044.230
InChI: InChI=1S/C56H80Cl2O12Si/c1-37(58)16-23-43(59)31-44(60)32-49-53(66-35-41-19-26-46(62-8)27-20-41)51(65-34-40-17-24-45(61-7)25-18-40)39(3)52(68-49)54(67-36-42-21-28-47(63-9)29-22-42)56(64-10)33-50(70-71(11,12)55(4,5)6)38(2)48(69-56)15-13-14-30-57/h16-29,38-39,43,48-54,59H,1,13-15,30-36H2,2-12H3/b23-16+/t38-,39+,43+,48+,49+,50-,51+,52+,53+,54-,56+/m0/s1
InChI key: HNANMVIKDNGYDW-RHCHIHOWSA-N
SMILES: COc1ccc(CO[C@@H]([C@@H]2O[C@H](CC(=O)C[C@H](O)/C=C/C(=C)Cl)[C@@H](OCc3ccc(OC)cc3)[C@H](OCc3ccc(OC)cc3)[C@H]2C)[C@]2(C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCCCCl)O2)OC)cc1
Systematic name  (3):
  • (4S,5E)-1-[[(2R)-3β,4α-ビス(4-メトキシベンジルオキシ)-5β-メチル-6α-[(S)-[[(2R)-2-メトキシ-4α-(tert-ブチルジメチルシロキシ)-5β-メチル-6β-(4-クロロブチル)テトラヒドロ-2H-ピラン]-2β-イル](4-メトキシベンジルオキシ)メチル]テトラヒドロ-2H-ピラン]-2α-イル]-4-ヒドロキシ-7-クロロ-5,7-オクタジエン-2-オン
  • (4S,5E)-1-[(2R,3R,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[(tert-ブチルジメチルシリル)オキシ]-6-(4-クロロブチル)-2-メトキシ-5-メチルオキサン-2-イル][(4-メトキシフェニル)メトキシ]メチル]-3,4-ビス[(4-メトキシフェニル)メトキシ]-5-メチルオキサン-2-イル]-7-クロロ-4-ヒドロキシオクタ-5,7-ジエン-2-オン
  • (4S,5E)-1-[(2R,3R,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[(tert-butyldimethylsilyl)oxy]-6-(4-chlorobutyl)-2-methoxy-5-methyloxan-2-yl][(4-methoxyphenyl)methoxy]methyl]-3,4-bis[(4-methoxyphenyl)methoxy]-5-methyloxan-2-yl]-7-chloro-4-hydroxyocta-5,7-dien-2-one
Other name (1):
  • (4S,5E)-1-[[(2R)-3β,4α-Bis(4-methoxybenzyloxy)-5β-methyl-6α-[(S)-[[(2R)-2-methoxy-4α-(tert-butyldimethylsiloxy)-5β-methyl-6β-(4-chlorobutyl)tetrahydro-2H-pyran]-2β-yl](4-methoxybenzyloxy)methyl]tetrahydro-2H-pyran]-2α-yl]-4-hydroxy-7-chloro-5,7-octadiene-2-one
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