Spektraris NMR
Herticins A
Common Name: Herticins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-9-5-4-6-15(17)8-12-11(7-14(9,15)3)10(2)13(16)18-12/h9,12,17H,4-8H2,1-3H3/t9-,12+,14+,15-/m0/s1
InChIKey: InChIKey=MVFHOCUIRUKOFG-FFFUXKDYSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yasmeen, S., Riaz, N., Bibi, A., Afza, N., Malik, A., Tareen, R.B. Helv Chim Acta (2009) 92, 404-8
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 (CH2) | 36.5 |
| 2 (CH2) | 22.3 |
| 3 (CH2) | 29.7 |
| 4 (CH) | 33.5 |
| 5 (C) | 44.9 |
| 6 (CH2) | 31.7 |
| 7 (C) | 161.2 |
| 8 (CH) | 77.2 |
| 9 (CH2) | 40.9 |
| 10 (C) | 75 |
| 11 (C) | 120.6 |
| 12 (C) | 175.1 |
| 13 (CH3) | 8.3 |
| 14 (CH3) | 14.7 |
| 15 (CH3) | 16 |
