Spektraris NMR
Kansenol
Common Name: Kansenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-20(10-9-16-26(2,3)32)21-13-18-30(8)23-11-12-24-27(4,5)25(31)15-17-28(24,6)22(23)14-19-29(21,30)7/h9,11,14,16,20-21,24-25,31-32H,10,12-13,15,17-19H2,1-8H3/b16-9+/t20-,21+,24+,25+,28-,29+,30-/m1/s1
InChIKey: InChIKey=LSUPOESQARLSMN-PVLXGJMFSA-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 : 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) | 35.6 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 79 |
| 4 (C) | 39 |
| 5 (CH) | 48.2 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 118.6 |
| 8 (C) | 141.2 |
| 9 (C) | 145.1 |
| 10 (C) | 36.14 |
| 11 (CH) | 115.1 |
| 12 (CH2) | 38.4 |
| 13 (C) | 44 |
| 14 (C) | 49.6 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 50.6 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 20.7 |
| 20 (CH) | 36.11 |
| 21 (CH3) | 19 |
| 22 (CH2) | 38 |
| 23 (CH) | 125.7 |
| 24 (CH) | 139.3 |
| 25 (C) | 70.7 |
| 26 (CH3) | 29.88 |
| 27 (CH3) | 29.92 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 15.3 |
| 30 (CH3) | 23.1 |
