Chem
J-GLOBAL ID:200907051080980241   Nikkaji number:J1.158.407A

(1S,4aR)-4-Methylene-1β,10α-(isopropylidenebisoxy)-7,7,10aβ-trimethyl-5α,9β-bis(benzyloxy)-8β-(tert-butyldimethylsiloxy)dodecahydrobenzocyclooctene-6-one

(1S,4aR)-4-メチレン-1β,10α-(イソプロピリデンビスオキシ)-7,7,10aβ-トリメチル-5α,9β-ビス(ベンジルオキシ)-8β-(tert-ブチルジメチルシロキシ)ドデカヒドロベンゾシクロオクテン-6-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: C39H56O6Si
Molecular formula furigana: C39-H56-O6-SI
Molecular weight: 648.956
InChI: InChI=1S/C39H56O6Si/c1-26-22-23-29-39(9)30(26)31(41-24-27-18-14-12-15-19-27)33(40)37(5,6)34(45-46(10,11)36(2,3)4)32(35(39)44-38(7,8)43-29)42-25-28-20-16-13-17-21-28/h12-21,29-32,34-35H,1,22-25H2,2-11H3/t29-,30-,31-,32+,34-,35-,39+/m0/s1
InChI key: YHNOMPAPKTZEKW-ZBTVHCBUSA-N
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OCc2ccccc2)[C@@H]2OC(C)(C)O[C@H]3CCC(=C)[C@@H]([C@H](OCc4ccccc4)C(=O)C1(C)C)[C@]23C
Systematic name  (3):
  • (1S,4aR)-4-メチレン-1β,10α-(イソプロピリデンビスオキシ)-7,7,10aβ-トリメチル-5α,9β-ビス(ベンジルオキシ)-8β-(tert-ブチルジメチルシロキシ)ドデカヒドロベンゾシクロオクテン-6-オン
  • (1R,5S,9R,10S,13R,14S,15S)-10,14-ビス(ベンジルオキシ)-13-[(tert-ブチルジメチルシリル)オキシ]-3,3,12,12,15-ペンタメチル-8-メチリデン-2,4-ジオキサトリシクロ[7.5.1.05,15]ペンタデカン-11-オン
  • (1R,5S,9R,10S,13R,14S,15S)-10,14-bis(benzyloxy)-13-[(tert-butyldimethylsilyl)oxy]-3,3,12,12,15-pentamethyl-8-methylidene-2,4-dioxatricyclo[7.5.1.05,15]pentadecan-11-one
Other name (1):
  • (1S,4aR)-4-Methylene-1β,10α-(isopropylidenebisoxy)-7,7,10aβ-trimethyl-5α,9β-bis(benzyloxy)-8β-(tert-butyldimethylsiloxy)dodecahydrobenzocyclooctene-6-one
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