Spektraris NMR
Parnapimarol
Common Name: Parnapimarol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O5/c1-8-17(3)24(30)31-16-26(6)15-13-22(29)27(7)20-12-14-25(5,9-2)23(32-18(4)28)19(20)10-11-21(26)27/h9,17,21-23,29H,2,8,10-16H2,1,3-7H3/t17?,21-,22-,23-,25+,26-,27+/m0/s1
InChIKey: InChIKey=QKFZOHYVWBVZEU-MJSBBHSZSA-N
Formula: C27H42O5
Molecular Weight: 446.620406
Exact Mass: 446.303224
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Gkinis, G., Ioannou, E., Quesada, A., Vagias, C., Tzakou, O., Roussis, V. J Nat Prod (2008) 71, 926-8
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 (CH) | 70.6 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 28.5 |
| 4 (C) | 36.4 |
| 5 (CH) | 38.5 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 28.5 |
| 8 (C) | 129.4 |
| 9 (C) | 139 |
| 10 (C) | 43.2 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 30.7 |
| 13 (C) | 39.2 |
| 14 (CH) | 78.3 |
| 15 (CH) | 142.4 |
| 16 (CH2) | 113.1 |
| 17 (CH3) | 23.8 |
| 18 (CH2) | 72.4 |
| 19 (CH3) | 17.4 |
| 20 (CH3) | 20.7 |
| 14a (C) | 171.5 |
| 14b (CH3) | 21 |
| 18a (C) | 176.8 |
| 18b (CH) | 41.4 |
| 18c (CH2) | 26.7 |
| 18d (CH3) | 11.7 |
| 18ba (CH3) | 16.8 |
