Spektraris NMR
11-oxo-Kansenonol
Common Name: 11-oxo-Kansenonol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-18(10-9-13-26(2,3)34)19-11-15-29(7)25-20(31)16-22-27(4,5)23(33)12-14-28(22,6)24(25)21(32)17-30(19,29)8/h9,13,18-19,22-23,33-34H,10-12,14-17H2,1-8H3/b13-9+/t18-,19+,22+,23+,28+,29-,30+/m1/s1
InChIKey: InChIKey=PDXRTNBNKNCEHU-JZHNQXSHSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
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) | 33.9 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 77.9 |
| 4 (C) | 38.5 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 35.7 |
| 7 (C) | 199.8 |
| 8 (C) | 149.7 |
| 9 (C) | 154.7 |
| 10 (C) | 38 |
| 11 (C) | 201.7 |
| 12 (CH2) | 51.3 |
| 13 (C) | 45.1 |
| 14 (C) | 47.8 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 48.9 |
| 18 (CH3) | 18.6 |
| 19 (CH3) | 17.7 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 37.7 |
| 23 (CH) | 124.8 |
| 24 (CH) | 139.8 |
| 25 (C) | 70.7 |
| 26 (CH3) | 30 |
| 27 (CH3) | 30.1 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 15 |
| 30 (CH3) | 24 |
