| SpectraBase Spectrum ID |
CyMoxIqvzyB |
| Name |
methyl (1R,5R)-3-acetyl-1,5-dibenzyl-4,4-dimethyl-2-(3-methylbut-2-enoxy)cyclohex-2-ene-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.277009700 u |
| Formula |
C31H38O4 |
| InChI |
InChI=1S/C31H38O4/c1-22(2)17-18-35-28-27(23(3)32)30(4,5)26(19-24-13-9-7-10-14-24)21-31(28,29(33)34-6)20-25-15-11-8-12-16-25/h7-17,26H,18-21H2,1-6H3/t26-,31+/m1/s1 |
| InChIKey |
QTZFVETUSGVQAK-NEEKEDPPSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201707069 |
| Molecular Weight |
474.641 g/mol |
| Quality |
16 |
| Reported Formula |
C31H38O4 |
| SMILES |
[C@@]1(C(=C(C([C@@](C1)(CC1=CC=CC=C1)[H])(C)C)C(=O)C)OCC=C(C)C)(C(OC)=O)CC1=CC=CC=C1 |
| SPLASH |
splash10-0a4i-0000900000-10a44003634fe2e0dc57 |
| Sample Comments |
Diastereomeric mixture (2.7:1) |
| Source of Spectrum |
ACI-56-SM28-45a (DOI: 10.1002/anie.201707069) |
| Thin-Layer Chromatography |
0.57 (petroleum ether/ethyl acetate, 8:1) |
| Wiley ID |
1896609 |
