| SpectraBase Spectrum ID |
8Q8TFIzTjbI |
| Name |
7.alpha.-Acetoxy-18-chloro-15,16-epoxy-4,6-dioxo-4,5-seco-neocleroda-3(16),14-dien-20,12-olide - |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.144530902 u |
| Formula |
C22H27ClO7 |
| InChI |
InChI=1S/C22H27ClO7/c1-12-17(6-4-5-16(25)10-23)22(13(2)20(19(12)26)29-14(3)24)9-18(30-21(22)27)15-7-8-28-11-15/h7-8,11-13,17-18,20H,4-6,9-10H2,1-3H3/t12-,13-,17+,18+,20+,22-/m1/s1 |
| InChIKey |
ATWFVGMQAPBQEC-OYGOZYAISA-N |
| Molecular Weight |
438.904 g/mol |
| SMILES |
[C@]12(C(O[C@@](C2)(C2=COC=C2)[H])=O)[C@@]([C@](OC(=O)C)(C([C@@]([C@@]1(CCCC(=O)CCl)[H])(C)[H])=O)[H])(C)[H] |
