Spektraris NMR
Dendrillol-3
Common Name: Dendrillol-3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O4/c1-19(2)9-5-10-20(3)14(19)8-11-21-12-25-18(23)16(21)13(17(22)24-4)6-7-15(20)21/h13-16H,5-12H2,1-4H3/t13-,14+,15-,16+,20+,21+/m1/s1
InChIKey: InChIKey=NDSKJQVANFOGQV-QYIRSJDHSA-N
Formula: C21H32O4
Molecular Weight: 348.477178
Exact Mass: 348.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yong, K.W.L., Salim, A.A., Garson, M.J. Tetrahedron (2008) 64, 6733-8
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 (CH2) | 38.2 |
| 2 (CH2) | 18 |
| 3 (CH2) | 41.6 |
| 4 (C) | 33 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 40.8 |
| 8 (C) | 42.4 |
| 9 (CH) | 49.6 |
| 10 (C) | 37.6 |
| 11 (CH2) | 16.9 |
| 12 (CH2) | 21.8 |
| 13 (CH) | 38.8 |
| 14 (CH) | 50.8 |
| 15 (C) | 177.2 |
| 16 (C) | 173.2 |
| 17 (CH2) | 72.8 |
| 18 (CH3) | 33.2 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 14.3 |
| 16a (CH3) | 51.7 |
