Spektraris NMR
Sesquiterpene ZR-IIa
Common Name: Sesquiterpene ZR-IIa
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H22O7/c1-8(2)17(22)25-14-12-10(4)18(23)26-15(12)16(21)19(5,11-7-24-11)13(14)9(3)6-20/h6,11-16,21H,1,3-4,7H2,2,5H3/t11?,12-,13+,14+,15+,16+,19-/m0/s1
InChIKey: InChIKey=XBEWYBVLFVBNQU-NKGJBQJLSA-N
Formula: C19H22O7
Molecular Weight: 362.374513
Exact Mass: 362.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Herz, W., Govindan, S.V. Phytochemistry (1981) 20, 2229-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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) | 55.4 |
| 2 (CH2) | 44.6 |
| 3 (CH) | 194.1 |
| 4 (C) | 146.2 |
| 5 (CH) | 31.3 |
| 6 (CH) | 71.5 |
| 7 (CH) | 43 |
| 8 (CH) | 71.6 |
| 9 (CH) | 74.5 |
| 10 (C) | 40.5 |
| 11 (C) | 135.8 |
| 12 (C) | 170.4 |
| 13 (CH2) | 119.1 |
| 14 (CH3) | 12.8 |
| 15 (CH2) | 139.5 |
| 6a (C) | 166.3 |
| 6b (C) | 135.2 |
| 6c (CH3) | 18.3 |
| 6d (CH2) | 126.6 |
