Spektraris NMR
(5beta,9beta,10alpha,13S)-16,19-Dihydroxypimara-8(14)-ene-15-one
Common Name: (5beta,9beta,10alpha,13S)-16,19-Dihydroxypimara-8(14)-ene-15-one
Synonyms: (5beta,9beta,10alpha,13S)-16,19-Dihydroxypimara-8(14)-ene-15-one
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-18(17(23)12-21)10-7-15-14(11-18)5-6-16-19(2,13-22)8-4-9-20(15,16)3/h11,15-16,21-22H,4-10,12-13H2,1-3H3/t15-,16-,18+,19-,20+/m1/s1
InChIKey: InChIKey=UZMHSOXTTHVKPU-AFKBCAQJSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
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) | 38.8 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 35.3 |
| 4 (C) | 37.7 |
| 5 (CH) | 47.5 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 35.6 |
| 8 (C) | 141 |
| 9 (CH) | 50.1 |
| 10 (C) | 38.2 |
| 11 (CH2) | 18.4 |
| 12 (CH2) | 31.2 |
| 13 (C) | 46.6 |
| 14 (CH) | 122.6 |
| 15 (C) | 214.4 |
| 16 (CH2) | 64.7 |
| 17 (CH3) | 23.5 |
| 18 (CH2) | 71.9 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 15.5 |
