| SpectraBase Spectrum ID |
IvUYoA8y9b6 |
| 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)-1-benzyl-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]carbamate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H46FN3O5 |
| InChI |
InChI=1S/C36H46FN3O5/c1-25(2)9-14-32-35(3,45-32)31-22-29(15-16-36(31)24-43-36)44-34(42)38-30(21-26-7-5-4-6-8-26)33(41)40-19-17-39(18-20-40)23-27-10-12-28(37)13-11-27/h4-13,29-32H,14-24H2,1-3H3,(H,38,42)/t29-,30+,31-,32-,35-,36+/m1/s1 |
| InChIKey |
JTBCSKRLEBPNFH-XOVJMTDTSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Molecular Weight |
619.778 g/mol |
| Optical Rotation |
[a]D23 = +27.5 (c = 0.12, CH2Cl2) |
| Reported Formula |
C36H46FN3O5 |
| SMILES |
N(C(O[C@]1(C[C@@]([C@]2(OC2)CC1)([C@@]1([C@@](CC=C(C)C)(O1)[H])C)[H])[H])=O)[C@](C(N1CCN(CC1)Cc1ccc(cc1)F)=O)(Cc1ccccc1)[H] |
| SPLASH |
splash10-0bt9-0900000000-5e740a95ee75d83e803c |
| Source of Spectrum |
US8299067B2 |
| Thin-Layer Chromatography |
Rf = 0.32 (silica gel, hexanes/EtOAc, 1:2) |
| Wiley ID |
1846862 |
![[(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)-1-benzyl-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]carbamate](/api/spectrum/IvUYoA8y9b6/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)-1-benzyl-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]carbamate")
