| SpectraBase Spectrum ID |
4M8LJmvQ1aV |
| 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-[(1R)-1-benzyl-2-oxo-2-(prop-2-ynylamino)ethyl]carbamate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36N2O5 |
| InChI |
InChI=1S/C28H36N2O5/c1-5-15-29-25(31)22(16-20-9-7-6-8-10-20)30-26(32)34-21-13-14-28(18-33-28)23(17-21)27(4)24(35-27)12-11-19(2)3/h1,6-11,21-24H,12-18H2,2-4H3,(H,29,31)(H,30,32)/t21-,22-,23-,24-,27-,28+/m1/s1 |
| InChIKey |
DAHREZYXIKGAHC-QZHDEGIZSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Molecular Weight |
480.605 g/mol |
| Optical Rotation |
[a]D23 = -12.2 (c = 0.23, CH2Cl2) |
| Reported Formula |
C28H36N2O5 |
| SMILES |
N(C(O[C@]1(C[C@]([C@@]2([C@@](CC=C(C)C)(O2)[H])C)([C@]2(OC2)CC1)[H])[H])=O)[C@@](C(NCC#C)=O)(Cc1ccccc1)[H] |
| SPLASH |
splash10-000i-0920000000-a6c7ce511425c0b91412 |
| Source of Spectrum |
US8299067B2 |
| Thin-Layer Chromatography |
Rf = 0.29 (silica gel, hexanes/EtOAc, 1:1) |
| Wiley ID |
1846863 |
![[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(1R)-1-benzyl-2-oxo-2-(prop-2-ynylamino)ethyl]carbamate](/api/spectrum/4M8LJmvQ1aV/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-[(1R)-1-benzyl-2-oxo-2-(prop-2-ynylamino)ethyl]carbamate")
