Spektraris NMR
3beta,19-Dihydroxy-8(9),15-isopimaradien-7-one
Common Name: 3beta,19-Dihydroxy-8(9),15-isopimaradien-7-one
Synonyms: 3beta,19-Dihydroxy-8(9),15-isopimaradien-7-one
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-5-18(2)8-6-14-13(11-18)15(22)10-16-19(14,3)9-7-17(23)20(16,4)12-21/h5,16-17,21,23H,1,6-12H2,2-4H3/t16-,17+,18+,19-,20+/m1/s1
InChIKey: InChIKey=QMKTXDWPIMLEBB-CXQPBAHBSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Asili, J., Lambert, M., Ziegler, H.L., Staerk, D., SairaBanpour, M., Witt, M., Asghari, G., Ibrahimi, I.S., Jaroszewski, J.W. J Nat Prod (2004) 67, 631-7
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) | 33.5 |
| 2 (CH2) | 26.71 |
| 3 (CH) | 75.17 |
| 4 (C) | 41.9 |
| 5 (CH) | 43.54 |
| 6 (CH2) | 34.94 |
| 7 (C) | 198.99 |
| 8 (C) | 129.06 |
| 9 (C) | 164.93 |
| 10 (C) | 39.18 |
| 11 (CH2) | 23.09 |
| 12 (CH2) | 33.59 |
| 13 (C) | 34.38 |
| 14 (CH2) | 33.38 |
| 15 (CH) | 145.07 |
| 16 (CH2) | 111.74 |
| 17 (CH3) | 28.03 |
| 18 (CH2) | 70.44 |
| 19 (CH3) | 11.21 |
| 20 (CH3) | 18.31 |
