Spektraris NMR
CHEMBL381063
Common Name: CHEMBL381063
Synonyms: CHEMBL381063
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-10-7-6-8-11(2)17(25-19(23)20(5)13(4)26-20)16(21)15-12(3)18(22)24-14(15)9-10/h8-9,13-17,21H,3,6-7H2,1-2,4-5H3/b10-9+,11-8+/t13-,14-,15-,16+,17+,20-/m0/s1
InChIKey: InChIKey=BRTAZWLJPFLZAV-JNOXEZSCSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muller, S., Murillo, R., Castro, V., Brecht, V., Merfort, I. J Nat Prod (2004) 67, 622-30
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 (CH) | 130.6 |
| 2 (CH2) | 25.1 |
| 3 (CH2) | 38.8 |
| 4 (C) | 137.9 |
| 5 (CH) | 123.4 |
| 6 (CH) | 75.8 |
| 7 (CH) | 47.1 |
| 8 (CH) | 68.4 |
| 9 (CH) | 82.9 |
| 10 (C) | 134.4 |
| 11 (C) | 135.4 |
| 12 (C) | 169.9 |
| 13 (CH2) | 126.7 |
| 14 (CH3) | 19.2 |
| 15 (CH3) | 16.9 |
| 8a (C) | 169.1 |
| 8b (C) | 59.8 |
| 8c (CH) | 60.2 |
| 8d (CH3) | 13.9 |
| 8e (CH3) | 19.2 |
