Chem
J-GLOBAL ID:200907035966698592
Nikkaji number:J424.279C
A-77637
(1R)-1α-アミノメチル-3,4-ジヒドロ-3α-(アダマンタン-1-イル)-1H-2-ベンゾピラン-5,6-ジオール
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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:
C20 H27 NO3
Molecular formula furigana:
C20-H27-N-O3
Molecular weight:
329.440
InChI:
InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11-,12?,13?,17-,18-,20-/m0/s1
InChI key:
QLJOSZATCBCBDR-QMOJLLTFSA-N
SMILES:
NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)[C@@]12CC3C[C@@H](CC(C3)C1)C2
Systematic name (4):
(1R,3S)-3-(アダマンタン-1-イル)-1-(アミノメチル)-3,4-ジヒドロ-1H-2-ベンゾピラン-5,6-ジオール
[1R,3S,(-)]-1-(アミノメチル)-3-(アダマンタン-1-イル)-3,4-ジヒドロ-1H-2-ベンゾピラン-5,6-ジオール
(1R)-1α-アミノメチル-3,4-ジヒドロ-3α-(アダマンタン-1-イル)-1H-2-ベンゾピラン-5,6-ジオール
(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol
Other name (2):
(1R)-1α-Aminomethyl-3,4-dihydro-3α-(adamantan-1-yl)-1H-2-benzopyran-5,6-diol
A-77637
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