| SpectraBase Spectrum ID |
IA6uHVRtsM1 |
| Name |
(R)-O-methylmandelate ester of carduusyne-E ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H40O5 |
| InChI |
InChI=1S/C34H40O5/c1-4-6-7-16-22-27-31(39-34(36)33(37-3)30-25-20-19-21-26-30)28-23-17-14-12-10-8-9-11-13-15-18-24-29-32(35)38-5-2/h8-9,19-21,25-26,31,33H,4-6,10,12,14,17,23-24,28-29H2,1-3H3/b9-8+/t31-,33+/m0/s1 |
| InChIKey |
CONQEPKYWUQNNL-AMYXZKMKSA-N |
| Molecular Weight |
528.689 g/mol |
| SMILES |
C([C@@](c1ccccc1)(OC)[H])(O[C@@](C#CC#CCCC)(CCCCCC\C=C\C#CC#CCCC(=O)OCC)[H])=O |
| SPLASH |
splash10-00di-0900000000-61ec73e1e19fbc89c3b3 |
| Source of Spectrum |
B-47-1901-0 |
| Synonyms |
ethyl (8E,16R)-16-{[(2R)-2-methoxy-2-phenylethanoyl]oxy}-8-tricosene-4,6,17,19-tetraynoate |
| Wiley ID |
1403140 |
