Spektraris NMR
3b,6b-Diangeloyloxy-10a-hydroxy-8a-methoxyeremophileno-olide
Common Name: 3b,6b-Diangeloyloxy-10a-hydroxy-8a-methoxyeremophileno-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O8/c1-9-14(3)21(27)32-18-11-12-25(30)13-26(31-8)19(16(5)23(29)34-26)20(24(25,7)17(18)6)33-22(28)15(4)10-2/h9-10,17-18,20,30H,11-13H2,1-8H3/b14-9-,15-10-/t17-,18-,20+,24-,25+,26+/m0/s1
InChIKey: InChIKey=BKKHGOMZLAUTLY-BOONYZELSA-N
Formula: C26H36O8
Molecular Weight: 476.56024
Exact Mass: 476.241018
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) | 34.5 |
| 2 (CH2) | 21.5 |
| 3 (CH) | 71 |
| 4 (CH) | 35.4 |
| 5 (C) | 49.5 |
| 6 (CH) | 70.8 |
| 7 (C) | 153.9 |
| 8 (C) | 104.1 |
| 9 (CH2) | 47.8 |
| 10 (C) | 72.9 |
| 11 (C) | 128.1 |
| 12 (C) | 170.9 |
| 13 (CH3) | 8 |
| 14 (CH3) | 9.8 |
| 15 (CH3) | 14.3 |
| 3a (C) | 166.9 |
| 3b (C) | 126.7 |
| 3c (CH) | 141.4 |
| 3d (CH3) | 15.9 |
| 3ba (CH3) | 20.5 |
| 6a (C) | 166.3 |
| 6b (C) | 126.4 |
| 6c (CH) | 137.7 |
| 6d (CH3) | 15.6 |
| 6ba (CH3) | 20.4 |
| 8a (CH3) | 50.6 |
