Spektraris NMR
Myrrhanolide A
Common Name: Myrrhanolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O3/c1-8-4-5-9(2)12-7-15(17)13(6-11(8)12)10(3)14(16)18-15/h4-5,17H,6-7H2,1-3H3/t15-/m0/s1
InChIKey: InChIKey=DVZUGUCJUJYKHS-HNNXBMFYSA-N
Formula: C15H16O3
Molecular Weight: 244.286305
Exact Mass: 244.109944
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, T., Wan, W.Z., Wang, X.N., Yuan, H.Q., Ji, M., Lou, H.X. Helv Chim Acta (2009) 92, 645-52
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Abeo-Eudesmanes; 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 (C) | 134.4 |
| 2 (CH) | 128.5 |
| 3 (CH) | 128.5 |
| 4 (C) | 133.9 |
| 5 (C) | 130 |
| 6 (CH2) | 27 |
| 7 (C) | 156.6 |
| 8 (C) | 102.1 |
| 9 (CH2) | 39.7 |
| 10 (C) | 130 |
| 11 (C) | 122.7 |
| 12 (C) | 171.9 |
| 13 (CH3) | 8.5 |
| 14 (CH3) | 19.9 |
| 15 (CH3) | 19.7 |
