Spektraris NMR
Kansenonol
Common Name: Kansenonol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(10-9-14-26(2,3)33)20-11-17-30(8)25-21(12-16-29(20,30)7)28(6)15-13-24(32)27(4,5)23(28)18-22(25)31/h9,14,19-20,23-24,32-33H,10-13,15-18H2,1-8H3/b14-9+/t19-,20+,23+,24+,28-,29+,30-/m1/s1
InChIKey: InChIKey=HGMDURCSONKDEI-DEYHTPJLSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
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 : Euphanes; 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) | 196.3 |
| 8 (C) | 138.9 |
| 9 (C) | 165.3 |
| 10 (C) | 39.3 |
| 11 (CH2) | 23.7 |
| 12 (CH2) | 30 |
| 13 (C) | 44.7 |
| 14 (C) | 47.6 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 48.9 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 18.6 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 19.6 |
| 22 (CH2) | 38.2 |
| 23 (CH) | 125.5 |
| 24 (CH) | 139.4 |
| 25 (C) | 70.8 |
| 26 (CH3) | 29.9 |
| 27 (CH3) | 30 |
| 28 (CH3) | 27.2 |
| 29 (CH3) | 15 |
| 30 (CH3) | 24.4 |
