Spektraris NMR
Erythroxydiol Y
Common Name: Erythroxydiol Y
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H38O2/c1-16-8-7-9-18-22(16,5)11-10-17-14-21(4,12-13-23(17,18)6)19-15-24-20(2,3)25-19/h17-19H,1,7-15H2,2-6H3/t17-,18-,19-,21-,22-,23-/m0/s1
InChIKey: InChIKey=WKAKINUGDJCCTO-MRUOYJSDSA-N
Formula: C23H38O2
Molecular Weight: 346.547484
Exact Mass: 346.28718
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Ansell, S.M., Pegel, K.H., Taylor, D.A.H. Phytochemistry (1993) 32, 945-52
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabranes; 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) | 21.3 |
| 2 (CH2) | 28.4 |
| 3 (CH2) | 35.1 |
| 4 (C) | 160.7 |
| 5 (C) | 40.8 |
| 6 (CH2) | 38 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 42.1 |
| 9 (C) | 37.5 |
| 10 (CH) | 56.5 |
| 11 (CH2) | 33.2 |
| 12 (CH2) | 28.8 |
| 13 (C) | 35.6 |
| 14 (CH2) | 36.4 |
| 15 (CH) | 84.9 |
| 16 (CH2) | 64.7 |
| 17 (CH3) | 19.5 |
| 18 (CH2) | 102.2 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 12.4 |
| 15a (C) | 108.6 |
| 15b (CH3) | 25.2 |
| 15c (CH3) | 26.3 |
