| SpectraBase Spectrum ID |
WBqrWPTlI |
| Name |
3-{(Acetyloxy)[(1R)-1-phenyl-3-butenyl]amino}-1,2,3-trideoxy-4,5-O-(1-methylethylidene)-D-ribo-hex-1-enitol |
| Appearance |
White 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(16-12-9-8-10-13-16)22(27-15(3)24)17(7-2)20-19(14-23)25-21(4,5)26-20/h6-10,12-13,17-20,23H,1-2,11,14H2,3-5H3/t17-,18+,19+,20-/m0/s1 |
| InChIKey |
BGIVYPQFZDPLJW-NMLBUPMWSA-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]D20 = -85 (c = 0.78, CH2Cl2) |
| Quality |
185 |
| SMILES |
OC[C@@]1([C@]([C@@](N(OC(=O)C)[C@@](C2=CC=CC=C2)(CC=C)[H])(C=C)[H])(OC(O1)(C)C)[H])[H] |
| SPLASH |
splash10-06rx-5920000000-562d6ed767dd26e8248b |
| Source of Spectrum |
BJO-3-SM2-8 (DOI: 10.1186/1860-5397-3-44) |
| Thin-Layer Chromatography |
0.31 (AcOEt/petroleum ether, 1:3) |
| Wiley ID |
1908982 |
![3-{(Acetyloxy)[(1R)-1-phenyl-3-butenyl]amino}-1,2,3-trideoxy-4,5-O-(1-methylethylidene)-D-ribo-hex-1-enitol](/api/spectrum/WBqrWPTlI/structure.png?h=300&w=458 "3-{(Acetyloxy)[(1R)-1-phenyl-3-butenyl]amino}-1,2,3-trideoxy-4,5-O-(1-methylethylidene)-D-ribo-hex-1-enitol")
