Spektraris NMR
3beta-Hydroxy-19-acetoxypimara-8,15-diene-7-one
Common Name: 3beta-Hydroxy-19-acetoxypimara-8,15-diene-7-one
Synonyms: 3beta-Hydroxy-19-acetoxypimara-8,15-diene-7-one
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-6-20(3)9-7-16-15(12-20)17(24)11-18-21(16,4)10-8-19(25)22(18,5)13-26-14(2)23/h6,18-19,25H,1,7-13H2,2-5H3/t18-,19+,20-,21-,22-/m1/s1
InChIKey: InChIKey=VOMKERLMONTVKI-PVIWCNJMSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sutthivaiyakit S., Nareeboon P., Ruangrangsi N., Ruchirawat S., Pisutjaroenpong S., Mahidol C. Phytochemistry (2001) 56, 811-4
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) | 34 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 78 |
| 4 (C) | 41.8 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 35.6 |
| 7 (C) | 199.5 |
| 8 (C) | 129 |
| 9 (C) | 164.3 |
| 10 (C) | 39.3 |
| 11 (CH2) | 23.1 |
| 12 (CH2) | 33.5 |
| 13 (C) | 34.4 |
| 14 (CH2) | 33.2 |
| 15 (CH) | 144.9 |
| 16 (CH2) | 111.7 |
| 17 (CH3) | 28.2 |
| 18 (CH3) | 21.9 |
| 19 (CH2) | 65 |
| 20 (CH3) | 17.5 |
| 19a (C) | 171.1 |
| 19b (CH3) | 21 |
