Spektraris NMR
Anagadiol
Common Name: Anagadiol
Synonyms: Anagadiol
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h18-19,21-24,31-32H,9-17H2,1-8H3/t19-,21+,22+,23+,24-,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=KDVPRLJVCKYSQH-KGUWZBGUSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez A.G., Fraga B.M., Gonzalez P., Hernandez M.G., Ravelo A. Phytochemistry (1981) 20, 1919
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 75.7 |
| 2 (CH2) | 39 |
| 3 (CH) | 79.5 |
| 4 (C) | 38.4 |
| 5 (CH) | 53.4 |
| 6 (CH2) | 18 |
| 7 (CH2) | 34.6 |
| 8 (C) | 41.4 |
| 9 (CH) | 52.4 |
| 10 (C) | 43.8 |
| 11 (CH2) | 23.9 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 38.1 |
| 14 (C) | 43.5 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 37.8 |
| 17 (C) | 34.4 |
| 18 (C) | 142.7 |
| 19 (CH) | 129.7 |
| 20 (C) | 32.4 |
| 21 (CH2) | 33.5 |
| 22 (CH2) | 37.5 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.1 |
| 25 (CH3) | 12.5 |
| 26 (CH3) | 16.5 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 25.4 |
| 29 (CH3) | 31.3 |
| 30 (CH3) | 29.3 |
