Spektraris NMR
Pulicanone
Common Name: Pulicanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O7/c1-12(2)19-18(27-15(5)23)10-17(11-26-14(4)22)9-7-8-13(3)20(25)21(19)28-16(6)24/h9,12,18-19,21H,3,7-8,10-11H2,1-2,4-6H3/b17-9+/t18-,19+,21-/m1/s1
InChIKey: InChIKey=XFOYHMKDRKVKPJ-RXBGONPWSA-N
Formula: C21H30O7
Molecular Weight: 394.459511
Exact Mass: 394.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Triana, J., Lopez, M., Perez, F.J., Gonzalez-Platas, J., Quintana, J., Estevez, F., Leon, F., Bermejo, J. J Nat Prod (2005) 68, 523-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 131.9 |
| 2 (CH2) | 23.3 |
| 3 (CH2) | 32.6 |
| 4 (C) | 145.4 |
| 5 (C) | 198.7 |
| 6 (CH) | 72.9 |
| 7 (CH) | 45.5 |
| 8 (CH) | 69.6 |
| 9 (CH2) | 30 |
| 10 (C) | 132.6 |
| 11 (CH) | 27.4 |
| 12 (CH3) | 21.6 |
| 13 (CH3) | 17.6 |
| 14 (CH2) | 69.3 |
| 15 (CH2) | 124.1 |
| 6a (C) | 169.7 |
| 6b (CH3) | 20.8 |
| 8a (C) | 169.9 |
| 8b (CH3) | 20.9 |
| 14a (C) | 170.6 |
| 14b (CH3) | 21.1 |
