Spektraris NMR
8a-(4-Hydroxymethacryloyloxy)-10a-hydroxy-13-methoxy-hirsutinolide
Common Name: 8a-(4-Hydroxymethacryloyloxy)-10a-hydroxy-13-methoxy-hirsutinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O9/c1-11(9-21)16(22)27-14-8-19(3,24)20(25)6-5-18(2,29-20)7-13-15(14)12(10-26-4)17(23)28-13/h7,14,21,24-25H,1,5-6,8-10H2,2-4H3/b13-7+/t14-,18+,19+,20-/m0/s1
InChIKey: InChIKey=QWBLTCODGSIAOX-TUKLKSIPSA-N
Formula: C20H26O9
Molecular Weight: 410.415822
Exact Mass: 410.157682
NMR Solvent: CDCl3
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) | 108.9 |
| 2 (CH2) | 32.1 |
| 3 (CH2) | 37.9 |
| 4 (C) | 82.5 |
| 5 (CH) | 125.4 |
| 6 (C) | 144.1 |
| 7 (C) | 150.4 |
| 8 (CH) | 65.5 |
| 9 (CH2) | 38.1 |
| 10 (C) | 77.6 |
| 11 (C) | 133.1 |
| 12 (C) | 167.3 |
| 13 (CH2) | 63.6 |
| 14 (CH3) | 26.3 |
| 15 (CH3) | 29 |
| 8a (C) | 165 |
| 8b (C) | 139 |
| 8c (CH2) | 129.4 |
| 8ba (CH2) | 62.5 |
| 13a (CH3) | 59 |
