Spektraris NMR
3a-Acetoxydiversifolol
Common Name: 3a-Acetoxydiversifolol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H28O5/c1-12(19)23-15-8-10-17(2)9-7-13(5-6-16(20)22-4)11-14(17)18(15,3)21/h5-6,13-15,21H,7-11H2,1-4H3/b6-5+/t13-,14-,15-,17+,18+/m1/s1
InChIKey: InChIKey=BWEZAELZEOOOJT-POCSJANHSA-N
Formula: C18H28O5
Molecular Weight: 324.412612
Exact Mass: 324.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gu, J.Q., Gills, J.J., Park, E.J., Mata-Greenwood, E., Hawthorne, M.E., Axelrod, F., Chavez, P.I., Fong, H.H., Mehta, R.G., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2002) 65, 532-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 34.3 |
| 2 (CH2) | 22.3 |
| 3 (CH) | 77.4 |
| 4 (C) | 71.8 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 25.7 |
| 7 (CH) | 41.4 |
| 8 (CH2) | 26.9 |
| 9 (CH2) | 43.7 |
| 10 (C) | 34 |
| 11 (CH) | 118.8 |
| 12 (CH) | 153.8 |
| 13 (C) | 167.5 |
| 14 (CH3) | 18.2 |
| 15 (CH3) | 21.3 |
| 3a (C) | 170.7 |
| 3b (CH3) | 21.4 |
| 13a (CH3) | 51.5 |
