Spektraris NMR
ent-19-nor-4,16,18-trihydroxy-8(14)-pimaren-15-one
Common Name: ent-19-nor-4,16,18-trihydroxy-8(14)-pimaren-15-one
Synonyms: ent-19-nor-4,16,18-trihydroxy-8(14)-pimaren-15-one
CAS Registry Number:
InChI: InChI=1S/C19H30O4/c1-17(16(22)11-20)9-6-14-13(10-17)4-5-15-18(14,2)7-3-8-19(15,23)12-21/h10,14-15,20-21,23H,3-9,11-12H2,1-2H3/t14-,15+,17+,18+,19+/m1/s1
InChIKey: InChIKey=MLILHESQKRQFGI-UYKLPWQDSA-N
Formula: C19H30O4
Molecular Weight: 322.439824
Exact Mass: 322.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Luo, X.D., Wu, S.H., Ma, Y.B., Wu, D.G. Phytochemistry (2001) 57, 131-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 38.5 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 35.8 |
| 4 (C) | 73.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 36.1 |
| 8 (C) | 140.4 |
| 9 (CH) | 49.7 |
| 10 (C) | 39 |
| 11 (CH2) | 19.6 |
| 12 (CH2) | 31.1 |
| 13 (C) | 46.6 |
| 14 (CH) | 123.3 |
| 15 (C) | 214.2 |
| 16 (CH2) | 64.6 |
| 17 (CH3) | 23.6 |
| 18 (CH2) | 62.8 |
| 20 (CH3) | 15.6 |
