Spektraris NMR
3b-Angeloyloxy-8a-hydroxy-6b-ethoxyeremophil-7(11),9(10)-dien-8,12-olide
Common Name: 3b-Angeloyloxy-8a-hydroxy-6b-ethoxyeremophil-7(11),9(10)-dien-8,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-7-12(3)19(23)27-16-10-9-15-11-22(25)17(13(4)20(24)28-22)18(26-8-2)21(15,6)14(16)5/h7,11,14,16,18,25H,8-10H2,1-6H3/b12-7-/t14-,16-,18+,21+,22+/m0/s1
InChIKey: InChIKey=CKEDEJUNOHYEPP-VAAPHRCGSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Mao, M., Jia, Z. Planta Med (2002) 68, 55-9
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) | 27.8 |
| 2 (CH2) | 31.9 |
| 3 (CH) | 74.8 |
| 4 (CH) | 46.5 |
| 5 (C) | 50.9 |
| 6 (CH) | 84.9 |
| 7 (C) | 157.9 |
| 8 (C) | 101.6 |
| 9 (CH) | 120.8 |
| 10 (C) | 149.8 |
| 11 (C) | 123 |
| 12 (C) | 171.6 |
| 13 (CH3) | 8.3 |
| 14 (CH3) | 14.8 |
| 15 (CH3) | 15.1 |
| 3a (C) | 167.5 |
| 3b (C) | 128.8 |
| 3c (CH) | 138.8 |
| 3d (CH3) | 15.7 |
| 3ba (CH3) | 20.99 |
| 6a (CH2) | 66.2 |
| 6b (CH3) | 15.3 |
