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3-{(Acetyloxy)[(1S)-1-phenyl-3-butenyl]amino}-1,2,3-trideoxy-4,5-O-(1-methylethylidene)-D-ribo-hex-1-enitol
SpectraBase Compound ID BNy9m0NwYRB
InChI InChI=1S/C21H29NO5/c1-6-11-18(20-19(14-23)25-21(4,5)26-20)22(27-15(3)24)17(7-2)16-12-9-8-10-13-16/h6-10,12-13,17-20,23H,1-2,11,14H2,3-5H3/t17-,18-,19+,20-/m0/s1
InChIKey BTUOPKHLPBREKR-HAGHYFMRSA-N
Mol Weight 375.47 g/mol
Molecular Formula C21H29NO5
Exact Mass 375.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhyJAInbFY5
Name 3-{(Acetyloxy)[(1S)-1-phenyl-3-butenyl]amino}-1,2,3-trideoxy-4,5-O-(1-methylethylidene)-D-ribo-hex-1-enitol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.204573033 u
Formula C21H29NO5
InChI InChI=1S/C21H29NO5/c1-6-11-18(20-19(14-23)25-21(4,5)26-20)22(27-15(3)24)17(7-2)16-12-9-8-10-13-16/h6-10,12-13,17-20,23H,1-2,11,14H2,3-5H3/t17-,18-,19+,20-/m0/s1
InChIKey BTUOPKHLPBREKR-HAGHYFMRSA-N
Instrument Name QMD 1000 Carlo Erba
Ionization Type EI
Literature Reference DOI 10.1186/1860-5397-3-44
Molecular Weight 375.465 g/mol
Optical Rotation [a]D25 = +62 (c = 0.96, CH2Cl2)
Quality 133
SMILES OC[C@@]1([C@]([C@@](N(OC(=O)C)[C@](C2=CC=CC=C2)(C=C)[H])(CC=C)[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-014i-1930000000-07de80a767b63b121510
Source of Spectrum BJO-3-SM2-9 (DOI: 10.1186/1860-5397-3-44)
Thin-Layer Chromatography 0.34 (AcOEt/petroleum ether, 1:4)
Wiley ID 1908983