Spektraris NMR
3β-Acetoxy-9β-angeloyloxy-1β,10β-epoxy-8α-hydroxyeremophil-7(11)-en-8β(12)-olide
Common Name: 3β-Acetoxy-9β-angeloyloxy-1β,10β-epoxy-8α-hydroxyeremophil-7(11)-en-8β(12)-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-7-10(2)17(24)28-19-21-16(29-21)8-15(27-13(5)23)12(4)20(21,6)9-14-11(3)18(25)30-22(14,19)26/h7,12,15-16,19,26H,8-9H2,1-6H3/b10-7-/t12-,15-,16+,19+,20+,21-,22-/m0/s1
InChIKey: InChIKey=GNNUZBCUYRDLNT-ROSJVHPRSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, W., Gao, K., Jia, Z. J Nat Prod (2002) 65, 714-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 60.3 |
| 2 (CH2) | 24.4 |
| 3 (CH) | 68.8 |
| 4 (CH) | 40.8 |
| 5 (C) | 39.3 |
| 6 (CH2) | 34.7 |
| 7 (C) | 154.7 |
| 8 (C) | 101.6 |
| 9 (CH) | 77 |
| 10 (C) | 61.5 |
| 11 (C) | 126.4 |
| 12 (C) | 171.3 |
| 13 (CH3) | 8.2 |
| 14 (CH3) | 22.5 |
| 15 (CH3) | 9.5 |
| 3a (C) | 171.8 |
| 3b (CH3) | 21.3 |
| 9a (C) | 165.7 |
| 9b (C) | 126.6 |
| 9c (CH) | 140.7 |
| 9d (CH3) | 20.3 |
| 9e (CH3) | 15.8 |
