Chem
J-GLOBAL ID:200907048372758042   Nikkaji number:J1.779.648H

(3S)-6-(3-Methoxybenzylamino)-3,4-dihydro-4α-(benzyloxy)-2,2-dimethyl-2H-1-benzopyran-3β-ol

(3S)-6-(3-メトキシベンジルアミノ)-3,4-ジヒドロ-4α-(ベンジルオキシ)-2,2-ジメチル-2H-1-ベンゾピラン-3β-オール
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: C26H29NO4
Molecular formula furigana: C26-H29-N-O4
Molecular weight: 419.521
InChI: InChI=1S/C26H29NO4/c1-26(2)25(28)24(30-17-18-8-5-4-6-9-18)22-15-20(12-13-23(22)31-26)27-16-19-10-7-11-21(14-19)29-3/h4-15,24-25,27-28H,16-17H2,1-3H3/t24-,25+/m1/s1
InChI key: MQIGPFDWHRHBQA-RPBOFIJWSA-N
SMILES: COc1cccc(CNc2ccc3OC(C)(C)[C@@H](O)[C@H](OCc4ccccc4)c3c2)c1
Systematic name  (3):
  • (3S)-6-(3-メトキシベンジルアミノ)-3,4-ジヒドロ-4α-(ベンジルオキシ)-2,2-ジメチル-2H-1-ベンゾピラン-3β-オール
  • (3S,4R)-4-(ベンジルオキシ)-6-{[(3-メトキシフェニル)メチル]アミノ}-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-3-オール
  • (3S,4R)-4-(benzyloxy)-6-{[(3-methoxyphenyl)methyl]amino}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-ol
Other name (1):
  • (3S)-6-(3-Methoxybenzylamino)-3,4-dihydro-4α-(benzyloxy)-2,2-dimethyl-2H-1-benzopyran-3β-ol
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