Chem
J-GLOBAL ID:200907048863420825   Nikkaji number:J1.778.078F

4-[3α-(Benzyloxy)-2β-(benzyloxymethyl)-7α-(4-bromobenzyloxy)-5α-methyloxocane-8β-yl]-3-(methylthio)-2-thia(IV)butane-2-one

4-[3α-(ベンジルオキシ)-2β-(ベンジルオキシメチル)-7α-(4-ブロモベンジルオキシ)-5α-メチルオキソカン-8β-イル]-3-(メチルチオ)-2-チア(IV)ブタン-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: C34H43BrO5S2
Molecular formula furigana: C34-H43-BR-O5-S2
Molecular weight: 675.740
InChI: InChI=1S/C34H43BrO5S2/c1-25-18-30(38-23-28-14-16-29(35)17-15-28)32(20-34(41-2)42(3)36)40-33(24-37-21-26-10-6-4-7-11-26)31(19-25)39-22-27-12-8-5-9-13-27/h4-17,25,30-34H,18-24H2,1-3H3/t25-,30+,31-,32-,33+,34?,42?/m1/s1
InChI key: CISFQTGSIJNXPU-WRZCONTPSA-N
SMILES: CSC(C[C@H]1O[C@@H](COCc2ccccc2)[C@@H](C[C@H](C)C[C@@H]1OCc1ccc(Br)cc1)OCc1ccccc1)S(=O)C
Systematic name  (4):
  • メチル[1-(メチルチオ)-2-[(2R,3S,5R,7R,8S)-3-(4-ブロモベンジルオキシ)-5-メチル-7-(ベンジルオキシ)-8-[(ベンジルオキシ)メチル]オキソカン-2-イル]エチル]スルホキシド
  • 4-[3α-(ベンジルオキシ)-2β-(ベンジルオキシメチル)-7α-(4-ブロモベンジルオキシ)-5α-メチルオキソカン-8β-イル]-3-(メチルチオ)-2-チア(IV)ブタン-2-オン
  • (2S,3R,5R,7S,8R)-3-(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-7-[(4-ブロモフェニル)メトキシ]-8-[2-メタンスルフィニル-2-(メチルスルファニル)エチル]-5-メチルオキソカン
  • (2S,3R,5R,7S,8R)-3-(benzyloxy)-2-[(benzyloxy)methyl]-7-[(4-bromophenyl)methoxy]-8-[2-methanesulfinyl-2-(methylsulfanyl)ethyl]-5-methyloxocane
Other name (2):
  • Methyl[1-(methylthio)-2-[(2R,3S,5R,7R,8S)-3-(4-bromobenzyloxy)-5-methyl-7-(benzyloxy)-8-[(benzyloxy)methyl]oxocane-2-yl]ethyl] sulfoxide
  • 4-[3α-(Benzyloxy)-2β-(benzyloxymethyl)-7α-(4-bromobenzyloxy)-5α-methyloxocane-8β-yl]-3-(methylthio)-2-thia(IV)butane-2-one
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