Spektraris NMR
Podachaenin
Common Name: Podachaenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O6/c1-15-8-7-12-29(5)13-11-19(14-21(15)29)17(3)27(32)36-26-24(31)22-16(2)9-10-20-18(4)28(33)35-25(20)23(22)30(26,6)34/h19-21,23,25-26,34H,1,3-4,7-14H2,2,5-6H3/t19-,20+,21+,23+,25+,26+,29-,30+/m1/s1
InChIKey: InChIKey=FLMOJAVDPIWHCR-DGPQWNBTSA-N
Formula: C30H38O6
Molecular Weight: 494.620255
Exact Mass: 494.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ortega, A., Toscano, R.A., Maldonado, E. Phytochemistry (1998) 49, 1085-90
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 41.9 |
| 2 (CH2) | 23.5 |
| 3 (CH2) | 36.9 |
| 4 (C) | 150.6 |
| 5 (CH) | 50 |
| 6 (CH2) | 29.9 |
| 7 (CH) | 39.9 |
| 8 (CH2) | 27.4 |
| 9 (CH2) | 41.2 |
| 10 (C) | 36 |
| 11 (C) | 145.3 |
| 12 (CH2) | 123.7 |
| 13 (C) | 168.8 |
| 14 (CH3) | 16.4 |
| 15 (CH2) | 105.6 |
| 1' (C) | 126.7 |
| 2' (C) | 195.6 |
| 3' (CH) | 82.9 |
| 4' (C) | 75.3 |
| 5' (CH) | 54.6 |
| 6' (CH) | 82.2 |
| 7' (CH) | 50 |
| 8' (CH2) | 24.9 |
| 9' (CH2) | 38.5 |
| 10' (C) | 158.2 |
| 11' (C) | 137.8 |
| 12' (C) | 166.3 |
| 13' (CH2) | 120.2 |
| 14' (CH3) | 24.7 |
| 15' (CH3) | 17.6 |
