Chem
J-GLOBAL ID:200907046156268054
Nikkaji number:J16.259K
Phalenopsine T
ファレノプシンT
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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 NO5
Molecular formula furigana:
C20-H27-N-O5
Molecular weight:
361.438
InChI:
InChI=1S/C20H27NO5/c1-25-18(22)13-20(24,12-15-6-3-2-4-7-15)19(23)26-14-16-9-11-21-10-5-8-17(16)21/h2-4,6-7,16-17,24H,5,8-14H2,1H3/t16-,17-,20+/m0/s1
InChI key:
DGURJYWVIFRGSZ-ABSDTBQOSA-N
SMILES:
COC(=O)C[C@](O)(Cc1ccccc1)C(=O)OC[C@@H]1CCN2CCC[C@@H]12
Systematic name (3):
(R)-2-ヒドロキシ-2-ベンジルブタン二酸1-[[(4R,5S)-1-アザビシクロ[3.3.0]オクタン-4-イル]メチル]4-メチル
1-[(1R,7aS)-ヘキサヒドロ-1H-ピロリジン-1-イル]メチル 4-メチル (2R)-2-ベンジル-2-ヒドロキシブタンジオアート
1-[(1R,7aS)-hexahydro-1H-pyrrolizin-1-yl]methyl 4-methyl (2R)-2-benzyl-2-hydroxybutanedioate
Other name (5):
ファレノプシンT
ファラエノプシンT
Phalenopsine T
Phalaenopsine T
(R)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4R,5S)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester
CAS registry number:
23412-97-7
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