Chem
J-GLOBAL ID:200907094025173362   Nikkaji number:J1.647.984E

(3S)-3α,5α-Bis(benzyloxy)-4β,6β-bis(4-methoxybenzyloxy)cyclohexene

(3S)-3α,5α-ビス(ベンジルオキシ)-4β,6β-ビス(4-メトキシベンジルオキシ)シクロヘキセン
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: C36H38O6
Molecular formula furigana: C36-H38-O6
Molecular weight: 566.694
InChI: InChI=1S/C36H38O6/c1-37-31-17-13-29(14-18-31)24-40-34-22-21-33(39-23-27-9-5-3-6-10-27)36(35(34)41-25-28-11-7-4-8-12-28)42-26-30-15-19-32(38-2)20-16-30/h3-22,33-36H,23-26H2,1-2H3/t33-,34-,35+,36+/m0/s1
InChI key: QKRVBCWQPKYCIW-CLLHQPRTSA-N
SMILES: COc1ccc(CO[C@H]2C=C[C@H](OCc3ccccc3)[C@@H](OCc3ccc(OC)cc3)[C@@H]2OCc2ccccc2)cc1
Systematic name  (4):
  • (3S)-3α,5α-ビス(ベンジルオキシ)-4β,6β-ビス(4-メトキシベンジルオキシ)-1-シクロヘキセン
  • (3S)-3α,5α-ビス(ベンジルオキシ)-4β,6β-ビス(4-メトキシベンジルオキシ)シクロヘキセン
  • 1-({[(1S,4S,5R,6R)-4,6-ビス(ベンジルオキシ)-5-[(4-メトキシフェニル)メトキシ]シクロヘキサ-2-エン-1-イル]オキシ}メチル)-4-メトキシベンゼン
  • 1-({[(1S,4S,5R,6R)-4,6-bis(benzyloxy)-5-[(4-methoxyphenyl)methoxy]cyclohex-2-en-1-yl]oxy}methyl)-4-methoxybenzene
Other name (2):
  • (3S)-3α,5α-Bis(benzyloxy)-4β,6β-bis(4-methoxybenzyloxy)-1-cyclohexene
  • (3S)-3α,5α-Bis(benzyloxy)-4β,6β-bis(4-methoxybenzyloxy)cyclohexene
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