| SpectraBase Spectrum ID |
9tI1yRVhmEy |
| Name |
[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(1S)-2-(3-azidopropylamino)-1-benzyl-2-oxo-ethyl]carbamate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H39N5O5 |
| InChI |
InChI=1S/C28H39N5O5/c1-19(2)10-11-24-27(3,38-24)23-17-21(12-13-28(23)18-36-28)37-26(35)32-22(16-20-8-5-4-6-9-20)25(34)30-14-7-15-31-33-29/h4-6,8-10,21-24H,7,11-18H2,1-3H3,(H,30,34)(H,32,35)/t21-,22+,23-,24-,27-,28+/m1/s1 |
| InChIKey |
NJYQYIBDKFIBKU-HYSYENSQSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Molecular Weight |
525.650 g/mol |
| Optical Rotation |
[a]D23 = +9.1 (c = 0.11, CH2Cl2) |
| Reported Formula |
C28H39N5O5 |
| SMILES |
N(C(O[C@]1(C[C@@]([C@]2(OC2)CC1)([C@]1(C)[C@@](CC=C(C)C)(O1)[H])[H])[H])=O)[C@](C(NCCCN=[N+]=[N-])=O)(Cc1ccccc1)[H] |
| SPLASH |
splash10-000i-0910000000-326ccaef6729e22a544f |
| Source of Spectrum |
US8299067B2 |
| Thin-Layer Chromatography |
Rf = 0.40 (silica gel, CH2Cl2/EtOAc, 2:3) |
| Wiley ID |
1846858 |
![[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(1S)-2-(3-azidopropylamino)-1-benzyl-2-oxo-ethyl]carbamate](/api/spectrum/9tI1yRVhmEy/structure.png?h=300&w=458 "[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(1S)-2-(3-azidopropylamino)-1-benzyl-2-oxo-ethyl]carbamate")
