Spektraris NMR
ent-8(14),15-isopimaradien-2-one
Common Name: ent-8(14),15-isopimaradien-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-6-19(4)10-9-16-14(11-19)7-8-17-18(2,3)12-15(21)13-20(16,17)5/h6,11,16-17H,1,7-10,12-13H2,2-5H3/t16-,17-,19-,20+/m1/s1
InChIKey: InChIKey=FFIOWAPQNBADAI-LFGUQSLTSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Murakami, M., Takaoka, S., Asakawa, Y. Phytochemistry (2003) 64, 1319-25
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pimaranes; 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) | 54 |
| 2 (C) | 211.7 |
| 3 (CH2) | 56.4 |
| 4 (C) | 39.5 |
| 5 (CH) | 54.5 |
| 6 (CH2) | 22.7 |
| 7 (CH2) | 35.5 |
| 8 (C) | 135.8 |
| 9 (CH) | 50.4 |
| 10 (C) | 44.4 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 34.3 |
| 13 (C) | 37.4 |
| 14 (CH) | 129.9 |
| 15 (CH) | 148.5 |
| 16 (CH2) | 110.5 |
| 17 (CH3) | 26.2 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 23.4 |
| 20 (CH3) | 15.4 |
