Spektraris NMR
8β-Isobutyryloxycumambranolide
Common Name: 8β-Isobutyryloxycumambranolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O5/c1-9(2)17(20)23-13-8-19(5,22)12-7-6-10(3)14(12)16-15(13)11(4)18(21)24-16/h6,9,12-16,22H,4,7-8H2,1-3,5H3/t12-,13-,14+,15-,16-,19-/m1/s1
InChIKey: InChIKey=SLWRMDVPXSTKON-WLQXYJQWSA-N
Formula: C19H26O5
Molecular Weight: 334.407466
Exact Mass: 334.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Chen, C.H. J Nat Prod (1998) 61, 827-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 54.9 |
| 2 (CH2) | 34.1 |
| 3 (CH) | 125.2 |
| 4 (C) | 143.4 |
| 5 (CH) | 55.1 |
| 6 (CH) | 80.2 |
| 7 (CH) | 46.7 |
| 8 (CH) | 66.6 |
| 9 (CH2) | 38.4 |
| 10 (C) | 73.4 |
| 11 (C) | 135 |
| 12 (C) | 169.8 |
| 13 (CH2) | 121.4 |
| 14 (CH3) | 32.9 |
| 15 (CH3) | 17.6 |
| 8b (C) | 176.4 |
| 8c (CH) | 34.1 |
| 8d (CH3) | 18.9 |
| 8ca (CH3) | 19.2 |
