| SpectraBase Spectrum ID |
4T59Pr3kKfA |
| Name |
methyl (1S,3S,5R)-3-acetyl-5-benzyl-4,4-dimethyl-1,3-bis(3-methylbut-2-enyl)-2-oxo-cyclohexanecarboxylate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H40O4 |
| InChI |
InChI=1S/C29H40O4/c1-20(2)14-16-28(26(32)33-8)19-24(18-23-12-10-9-11-13-23)27(6,7)29(22(5)30,25(28)31)17-15-21(3)4/h9-15,24H,16-19H2,1-8H3/t24-,28+,29+/m1/s1 |
| InChIKey |
SIEWPMRXNLPNIT-MHZHKKNFSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201707069 |
| Molecular Weight |
452.635 g/mol |
| Quality |
89 |
| Reported Formula |
C29H40O4 |
| SMILES |
[C@@]1(C([C@@](C([C@@](C1)(CC1=CC=CC=C1)[H])(C)C)(C(=O)C)CC=C(C)C)=O)(C(OC)=O)CC=C(C)C |
| SPLASH |
splash10-0a4i-5005900000-6f84a6b5d062ef02f06b |
| Source of Spectrum |
ACI-56-SM25-44 (DOI: 10.1002/anie.201707069) |
| Thin-Layer Chromatography |
0.32 (petroleum ether/ethyl acetate, 8:1) |
| Wiley ID |
1896608 |
