Chem
J-GLOBAL ID:200907078816259931   Nikkaji number:J1.129.852D

[(1R,3S,5E)-1-Isopropyl-3-(hydroxymethyl)-6-phenyl-5-hexenyl]carbamic acid tert-butyl ester

[(1R,3S,5E)-1-イソプロピル-3-(ヒドロキシメチル)-6-フェニル-5-ヘキセニル]カルバミド酸tert-ブチル
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: C21H33NO3
Molecular formula furigana: C21-H33-N-O3
Molecular weight: 347.499
InChI: InChI=1S/C21H33NO3/c1-16(2)19(22-20(24)25-21(3,4)5)14-18(15-23)13-9-12-17-10-7-6-8-11-17/h6-12,16,18-19,23H,13-15H2,1-5H3,(H,22,24)/b12-9+/t18-,19+/m0/s1
InChI key: PSTCHHJDVUEJAR-MLQCUJFCSA-N
SMILES: CC(C)[C@@H](C[C@@H](CO)C/C=C/c1ccccc1)NC(=O)OC(C)(C)C
Systematic name  (3):
  • [(1R,3S,5E)-1-イソプロピル-3-(ヒドロキシメチル)-6-フェニル-5-ヘキセニル]カルバミド酸tert-ブチル
  • tert-ブチル N-[(3R,5S)-6-ヒドロキシ-2-メチル-5-[(2E)-3-フェニルプロパ-2-エン-1-イル]ヘキサン-3-イル]カルバマート
  • tert-butyl N-[(3R,5S)-6-hydroxy-2-methyl-5-[(2E)-3-phenylprop-2-en-1-yl]hexan-3-yl]carbamate
Other name (1):
  • [(1R,3S,5E)-1-Isopropyl-3-(hydroxymethyl)-6-phenyl-5-hexenyl]carbamic acid tert-butyl ester
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