Spektraris NMR
Pallidone B
Common Name: Pallidone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O5/c1-15(2)12-18(26)13-16(3)8-7-11-25(5)17(4)29-23-20-10-9-19(28-6)14-21(20)30-24(27)22(23)25/h8-10,14-15,17H,7,11-13H2,1-6H3/b16-8+/t17-,25-/m0/s1
InChIKey: InChIKey=BARNHVLIPVGYOX-IGQFPODNSA-N
Formula: C25H32O5
Molecular Weight: 412.519526
Exact Mass: 412.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, B.N., Takaishi, Y., Honda, G., Itoh, M., Takeda, Y., Kodzhimatov, O.K., Ashurmetov, O. J Nat Prod (2000) 63, 436-40
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Farnesanes; 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 (CH3) | 15.8 |
| 2 (CH) | 89.7 |
| 3 (C) | 47.1 |
| 4 (CH2) | 38 |
| 5 (CH2) | 23.7 |
| 6 (CH) | 129.6 |
| 7 (C) | 129 |
| 8 (CH2) | 54.4 |
| 9 (C) | 209.4 |
| 10 (CH2) | 50.7 |
| 11 (CH) | 24.5 |
| 12 (CH3) | 22.6 |
| 13 (CH3) | 22.6 |
| 14 (CH3) | 16.4 |
| 15 (CH3) | 19.3 |
| 2' (C) | 165.6 |
| 3' (C) | 106.1 |
| 4' (C) | 160.6 |
| 5' (CH) | 123.8 |
| 6' (CH) | 112.3 |
| 7' (C) | 163.3 |
| 8' (CH) | 100.7 |
| 9' (C) | 157 |
| 10' (C) | 106.2 |
| 7'a (CH3) | 55.8 |
