Spektraris NMR
(5beta,10alpha,13S)-2alpha,18-Dihydroxypimara-8,15-dien-7-one
Common Name: (5beta,10alpha,13S)-2alpha,18-Dihydroxypimara-8,15-dien-7-one
Synonyms: (5beta,10alpha,13S)-2alpha,18-Dihydroxypimara-8,15-dien-7-one
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-5-18(2)7-6-15-14(11-18)16(23)8-17-19(3,12-21)9-13(22)10-20(15,17)4/h5,13,17,21-22H,1,6-12H2,2-4H3/t13-,17+,18-,19-,20-/m0/s1
InChIKey: InChIKey=RTPYHQOORJBPSU-CMBXTBLTSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fraga, B.M., Gonzalez, P., Hernandez, M.G., Chamy, M.C., Garbarino, J.A. Phytochemistry (1998) 47, 211-5
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) | 44.3 |
| 2 (CH) | 64.4 |
| 3 (CH2) | 44.8 |
| 4 (C) | 39.9 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 32.9 |
| 7 (C) | 199.1 |
| 8 (C) | 128.9 |
| 9 (C) | 164.3 |
| 10 (C) | 40.9 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 33.4 |
| 13 (C) | 34.1 |
| 14 (CH2) | 35.2 |
| 15 (CH) | 147 |
| 16 (CH2) | 110.8 |
| 17 (CH3) | 24.6 |
| 18 (CH3) | 26.4 |
| 19 (CH2) | 65.7 |
| 20 (CH3) | 19.6 |
