Spektraris NMR
7α-Hydroxygerin
Common Name: 7α-Hydroxygerin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H22O6/c1-10-13-8-18(22,11(2)16(21)23-5)15(24-12(3)19)9-17(13,4)7-6-14(10)20/h6-7,13,15,22H,1-2,8-9H2,3-5H3/t13-,15+,17+,18-/m0/s1
InChIKey: InChIKey=XTMCEPHQIYMVMI-NZPGVSJUSA-N
Formula: C18H22O6
Molecular Weight: 334.364372
Exact Mass: 334.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.R., Wu, Q.X., Shi, Y.P. Chem Biodivers (2008) 5, 279-89
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) | 160.72 |
| 2 (CH) | 126.42 |
| 3 (C) | 188.98 |
| 4 (C) | 145.45 |
| 5 (CH) | 41.71 |
| 6 (CH2) | 28.68 |
| 7 (C) | 73.02 |
| 8 (CH) | 72.2 |
| 9 (CH2) | 35.83 |
| 10 (C) | 36.81 |
| 11 (C) | 141.1 |
| 12 (C) | 168.03 |
| 13 (CH2) | 126.67 |
| 14 (CH3) | 20.61 |
| 15 (CH2) | 117.55 |
| 8a (C) | 169.43 |
| 8b (CH3) | 21.17 |
| 12a (CH3) | 52.4 |
