Spektraris NMR
8a-(4-Hydroxymethacryloyloxy)-10a-hydroxy-1,13-dimethoxy-hirsutinolide
Common Name: 8a-(4-Hydroxymethacryloyloxy)-10a-hydroxy-1,13-dimethoxy-hirsutinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O9/c1-12(10-22)17(23)28-15-9-20(3,25)21(27-5)7-6-19(2,30-21)8-14-16(15)13(11-26-4)18(24)29-14/h8,15,22,25H,1,6-7,9-11H2,2-5H3/b14-8+/t15-,19+,20+,21-/m0/s1
InChIKey: InChIKey=VIRRBXJHWACOBN-CYDVCVIESA-N
Formula: C21H28O9
Molecular Weight: 424.442439
Exact Mass: 424.173332
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Kos, O., Castro, V., Murillo, R., Poveda, L., Merfort, I. Phytochemistry (2006) 67, 62-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 111.9 |
| 2 (CH2) | 33.9 |
| 3 (CH2) | 38.3 |
| 4 (C) | 83.9 |
| 5 (CH) | 124.4 |
| 6 (C) | 143.9 |
| 7 (C) | 150.8 |
| 8 (CH) | 65.5 |
| 9 (CH2) | 40.5 |
| 10 (C) | 79.4 |
| 11 (C) | 129.3 |
| 12 (C) | 167.6 |
| 13 (CH2) | 64.3 |
| 14 (CH3) | 27.1 |
| 15 (CH3) | 28.1 |
| 1a (CH3) | 52.4 |
| 8a (C) | 165.6 |
| 8b (C) | 140.8 |
| 8c (CH2) | 127.7 |
| 8ba (CH2) | 62.8 |
| 13a (CH3) | 59.1 |
