Spektraris NMR
Mycgranol
Common Name: Mycgranol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O4/c1-12-7-8-15-20(4,16(12)18(24)25-6)10-9-14-19(2,3)11-13(22)17(23)21(14,15)5/h14-17,23H,1,7-11H2,2-6H3/t14-,15-,16-,17-,20+,21-/m1/s1
InChIKey: InChIKey=YFYZFYBJCJVQPI-YLMHJTNXSA-N
Formula: C21H32O4
Molecular Weight: 348.477178
Exact Mass: 348.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Benayahu, Y., Kashman, Y. J Nat Prod (2005) 68, 280-1
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isocopalanes; 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) | 79.1 |
| 2 (C) | 212 |
| 3 (CH2) | 50.8 |
| 4 (C) | 39 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 39.3 |
| 8 (C) | 39.6 |
| 9 (CH) | 48.7 |
| 10 (C) | 45 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 35.6 |
| 13 (C) | 143.1 |
| 14 (CH) | 63.1 |
| 15 (C) | 171.8 |
| 16 (CH2) | 108.6 |
| 17 (CH3) | 14.9 |
| 18 (CH3) | 23.2 |
| 19 (CH3) | 32.9 |
| 20 (CH3) | 16.1 |
| 15a (CH3) | 50.9 |
