Spektraris NMR
Epi-kansenone
Common Name: Epi-kansenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)21-12-17-30(8)26-22(13-16-29(21,30)7)28(6)15-14-25(32)27(4,5)24(28)18-23(26)31/h10,20-21,24-25,32H,9,11-18H2,1-8H3/t20-,21-,24-,25-,28+,29-,30+/m0/s1
InChIKey: InChIKey=TVMGQCAMNPECHD-VGYIVZNUSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, L.Y., Wang, N.L., Yao, X.S., Miyata, S., Kitanaka, S. J Nat Prod (2003) 66, 630-3
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 34.6 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78 |
| 4 (C) | 38.8 |
| 5 (CH) | 48.2 |
| 6 (CH2) | 35.8 |
| 7 (C) | 198.3 |
| 8 (C) | 138.9 |
| 9 (C) | 165.4 |
| 10 (C) | 39.3 |
| 11 (CH2) | 23.7 |
| 12 (CH2) | 29.9 |
| 13 (C) | 44.6 |
| 14 (C) | 47.6 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 28.6 |
| 17 (CH) | 48.7 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 18.6 |
| 20 (CH) | 36.2 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 24.9 |
| 24 (CH) | 125.1 |
| 25 (C) | 131 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 27.3 |
| 29 (CH3) | 15.1 |
| 30 (CH3) | 24.3 |
