Spektraris NMR
CHEMBL515226
Common Name: CHEMBL515226
Synonyms: CHEMBL515226
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-6-10(2)19(23)25-18-14-11(3)9-24-17(14)16(22)15-13(21)8-7-12(4)20(15,18)5/h9-10,12-13,15,18,21H,6-8H2,1-5H3/t10?,12-,13-,15-,18+,20+/m0/s1
InChIKey: InChIKey=IAWIPMBPDIXBBM-ORSKTOQHSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gu, J.Q., Wang, Y., Franzblau, S.G., Montenegro, G., Timmermann, B.N. J Nat Prod (2004) 67, 1483-7
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 (CH) | 66.4 |
| 2 (CH2) | 32.8 |
| 3 (CH2) | 30.1 |
| 4 (CH) | 42 |
| 5 (C) | 50.9 |
| 6 (CH) | 74.6 |
| 7 (C) | 135.9 |
| 8 (C) | 146.6 |
| 9 (C) | 189.2 |
| 10 (CH) | 60.8 |
| 11 (C) | 121.1 |
| 12 (CH) | 145.9 |
| 13 (CH3) | 8.9 |
| 14 (CH3) | 17.9 |
| 15 (CH3) | 8.9 |
| 6a (C) | 175.8 |
| 6b (CH) | 41.1 |
| 6c (CH2) | 25.7 |
| 6d (CH3) | 11.7 |
| 6e (CH3) | 15.5 |
