Spektraris NMR
Herticins B
Common Name: Herticins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-8-5-4-6-15(18)7-10-11(9(2)13(17)19-10)12(16)14(8,15)3/h8,10,12,16,18H,4-7H2,1-3H3/t8-,10+,12-,14-,15-/m0/s1
InChIKey: InChIKey=VWPXNITVBHRGOA-AGJGQATRSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
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) | 35.9 |
| 2 (CH2) | 22.1 |
| 3 (CH2) | 29.5 |
| 4 (CH) | 33.3 |
| 5 (C) | 46.3 |
| 6 (CH) | 71.3 |
| 7 (C) | 160.7 |
| 8 (CH) | 76.1 |
| 9 (CH2) | 41.4 |
| 10 (C) | 76 |
| 11 (C) | 122 |
| 12 (C) | 174.6 |
| 13 (CH3) | 8.6 |
| 14 (CH3) | 10.5 |
| 15 (CH3) | 16 |
