| SpectraBase Spectrum ID |
8uCj8P3a7S1 |
| Name |
Methylperoxycostunolide |
| CAS Registry Number |
32619-90-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-10-5-8-14(20-18-4)11(2)6-7-13-12(3)16(17)19-15(13)9-10/h9,13-15H,2-3,5-8H2,1,4H3/b10-9+/t13-,14+,15+/m0/s1 |
| InChIKey |
AKIXXFOBHNUCNV-RLZJMHGSSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C1(C([C@@]2(CCC([C@](OOC)(CC\C(=C\[C@]2(O1)[H])C)[H])=C)[H])=C)=O |
| SPLASH |
splash10-001i-0090000000-5d9f93a28d248a0b2311 |
| Source of Spectrum |
J-44-3955-5 |
| Wiley ID |
1282045 |
