Chem
J-GLOBAL ID:200907048500378053   Nikkaji number:J1.329.245K

(2R)-2α,3β,4β-Tris(benzyloxy)-8α-(tert-butyldiphenylsiloxymethyl)-3,4,4aα,7,8,8aα-hexahydronaphthalene-1(2H)-one

(2R)-2α,3β,4β-トリス(ベンジルオキシ)-8α-(tert-ブチルジフェニルシロキシメチル)-3,4,4aα,7,8,8aα-ヘキサヒドロナフタレン-1(2H)-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: C48H52O5Si
Molecular formula furigana: C48-H52-O5-SI
Molecular weight: 737.024
InChI: InChI=1S/C48H52O5Si/c1-48(2,3)54(40-27-15-7-16-28-40,41-29-17-8-18-30-41)53-35-39-26-19-31-42-43(39)44(49)46(51-33-37-22-11-5-12-23-37)47(52-34-38-24-13-6-14-25-38)45(42)50-32-36-20-9-4-10-21-36/h4-25,27-31,39,42-43,45-47H,26,32-35H2,1-3H3/t39-,42+,43-,45+,46+,47+/m1/s1
InChI key: TVNKITLOCDMLTR-LVUUAILTSA-N
SMILES: CC(C)(C)[Si](OC[C@H]1CC=C[C@@H]2[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)C(=O)[C@H]12)(c1ccccc1)c1ccccc1
Systematic name  (3):
  • (2R)-2α,3β,4β-トリス(ベンジルオキシ)-8α-(tert-ブチルジフェニルシロキシメチル)-3,4,4aα,7,8,8aα-ヘキサヒドロナフタレン-1(2H)-オン
  • (2R,3S,4S,4aS,8S,8aR)-2,3,4-トリス(ベンジルオキシ)-8-{[(tert-ブチルジフェニルシリル)オキシ]メチル}-1,2,3,4,4a,7,8,8a-オクタヒドロナフタレン-1-オン
  • (2R,3S,4S,4aS,8S,8aR)-2,3,4-tris(benzyloxy)-8-{[(tert-butyldiphenylsilyl)oxy]methyl}-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-one
Other name (1):
  • (2R)-2α,3β,4β-Tris(benzyloxy)-8α-(tert-butyldiphenylsiloxymethyl)-3,4,4aα,7,8,8aα-hexahydronaphthalene-1(2H)-one
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