Spektraris NMR
3b-Angeloyloxy-6b,10b-dihydroxyeremophila-7(11),8(9)-dien-8,12-olide
Common Name: 3b-Angeloyloxy-6b,10b-dihydroxyeremophila-7(11),8(9)-dien-8,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-6-10(2)17(22)25-13-7-8-20(24)9-14-15(11(3)18(23)26-14)16(21)19(20,5)12(13)4/h6,9,12-13,16,21,24H,7-8H2,1-5H3/b10-6-/t12-,13-,16+,19-,20-/m0/s1
InChIKey: InChIKey=CWQFFFQIMPZPEO-KOIMIFIUSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mao, M., Yang, Z., Jia, Z. Planta Med (2003) 69, 745-9
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 (CH2) | 27.5 |
| 2 (CH2) | 31.4 |
| 3 (CH) | 72.3 |
| 4 (CH) | 37.1 |
| 5 (C) | 44.8 |
| 6 (CH) | 68.4 |
| 7 (C) | 147 |
| 8 (C) | 148.7 |
| 9 (CH) | 110.6 |
| 10 (C) | 75.2 |
| 11 (C) | 125.3 |
| 12 (C) | 170.6 |
| 13 (CH3) | 8.5 |
| 14 (CH3) | 12.6 |
| 15 (CH3) | 12.2 |
| 3a (C) | 167.2 |
| 3b (C) | 127.5 |
| 3c (CH) | 139.1 |
| 3d (CH3) | 15.7 |
| 3ba (CH3) | 20.8 |
