Spektraris NMR
7beta-Acetoxyisopimara-8(14),15-dien-1-one
Common Name: 7beta-Acetoxyisopimara-8(14),15-dien-1-one
Synonyms: 7beta-Acetoxyisopimara-8(14),15-dien-1-one
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-7-21(5)11-8-16-15(13-21)17(25-14(2)23)12-18-20(3,4)10-9-19(24)22(16,18)6/h7,13,16-18H,1,8-12H2,2-6H3/t16-,17-,18-,21-,22+/m0/s1
InChIKey: InChIKey=GBPVGIIDWSHOQN-FHHGAAIESA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rasoamiaranjanahary, L., Guilet, D., Marston, A., Randimbivololona, F., Hostettmann, K. Phytochemistry (2003) 64, 543-8
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 (C) | 216.2 |
| 2 (CH2) | 36.2 |
| 3 (CH2) | 43.2 |
| 4 (C) | 33 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 27.9 |
| 7 (CH) | 75.2 |
| 8 (C) | 133.7 |
| 9 (CH) | 39 |
| 10 (C) | 52.6 |
| 11 (CH2) | 20.1 |
| 12 (CH2) | 34.2 |
| 13 (C) | 37.6 |
| 14 (CH) | 138.5 |
| 15 (CH) | 146.9 |
| 16 (CH2) | 111.7 |
| 17 (CH3) | 26.5 |
| 18 (CH3) | 32 |
| 19 (CH3) | 22.3 |
| 20 (CH3) | 13.7 |
| 7a (C) | 170.3 |
| 7b (CH3) | 21.5 |
