| SpectraBase Spectrum ID |
L7InBhbp5qg |
| Name |
(1R,2S)-Benzoic acid-2-(1R,2S,5R)-(2-isopropyl-5-methylcyclohexyloxycarbonylamino)cyclohex-3-enyl ester |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H33NO4 |
| InChI |
InChI=1S/C24H33NO4/c1-16(2)19-14-13-17(3)15-22(19)29-24(27)25-20-11-7-8-12-21(20)28-23(26)18-9-5-4-6-10-18/h4-7,9-11,16-17,19-22H,8,12-15H2,1-3H3,(H,25,27)/t17?,19?,20-,21-,22?/m0/s1 |
| InChIKey |
MWLUNXRZZAZPEJ-QVAHLCTCSA-N |
| Instrument Name |
Kreatus/MsI Concept 1S |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0705357 |
| Molecular Weight |
399.531 g/mol |
| Optical Rotation |
[a]D23 = +16.2 (c = 0.4, CHCl3) |
| Reported Formula |
C24H33NO4 |
| SMILES |
N([C@]1(C=CCC[C@@]1(OC(c1ccccc1)=O)[H])[H])C(=O)OC1CC(CCC1C(C)C)C |
| SPLASH |
splash10-0a4i-9810000000-06629c4278178028353a |
| Source of Spectrum |
G4-71-348-19b |
| Thin-Layer Chromatography |
Rf = 0.62 (CH2Cl2/MeOH, 400:1) |
| Wiley ID |
1871996 |
![((1R,2S, 5R)-2-[(2'-Isopropyl-5'-methylcyclohexyloxycarbonyl)amino]cyclohex-3'-enyl (1S,2R)-Benzoate](/api/spectrum/L7InBhbp5qg/structure.png?h=300&w=458 "((1R,2S, 5R)-2-[(2'-Isopropyl-5'-methylcyclohexyloxycarbonyl)amino]cyclohex-3'-enyl (1S,2R)-Benzoate")
