Spektraris NMR
11,13-Dehydro-8b-Tigloyloxy-Eleman-12-Oic Acid
Common Name: 11,13-Dehydro-8b-Tigloyloxy-Eleman-12-Oic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-8-13(5)19(23)24-17-11-20(7,9-2)16(12(3)4)10-15(17)14(6)18(21)22/h8-9,15-17H,2-3,6,10-11H2,1,4-5,7H3,(H,21,22)/b13-8+/t15-,16+,17-,20-/m1/s1
InChIKey: InChIKey=ZYYGYFSSHRZSCL-AGUIXGIGSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fang, N.B., Mabry, T.J. Phytochemistry (1988) 27, 283-5
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) | 136.8 |
| 2 (CH2) | 112.7 |
| 3 (CH2) | 110.8 |
| 4 (C) | 140.7 |
| 5 (CH) | 42 |
| 6 (CH2) | 27.4 |
| 7 (CH) | 52.8 |
| 8 (CH) | 70 |
| 9 (CH2) | 39.5 |
| 10 (C) | 42.6 |
| 11 (C) | 146.7 |
| 12 (C) | 171.2 |
| 13 (CH2) | 127.2 |
| 14 (CH3) | 14.2 |
| 15 (CH3) | 24.7 |
| 8a (C) | 167.3 |
| 8b (C) | 128.8 |
| 8c (CH3) | 12.1 |
| 8d (CH) | 149.6 |
| 8e (CH3) | 19.1 |
