Spektraris NMR
Kokoonol
Common Name: Kokoonol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-20-21(32)8-9-22-27(20,5)11-10-23-28(22,6)15-17-30(19-31)24-18-25(2,3)12-13-26(24,4)14-16-29(23,30)7/h20,22-24,31H,8-19H2,1-7H3/t20-,22+,23-,24+,26+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=IKOBLAPERMAFGU-JZYMYGMISA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gunatilaka A.A.L., Nanayakkara N.P.D., Sultanbawa M.U.S., Wazeer M.I.M. Org Magn Reson (1982) 18, 53
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 22.5 |
| 2 (CH2) | 42.6 |
| 3 (C) | 213.2 |
| 4 (CH) | 60.1 |
| 5 (C) | 42.4 |
| 6 (CH2) | 41.7 |
| 7 (CH2) | 20.8 |
| 8 (CH) | 53.1 |
| 9 (C) | 37.6 |
| 10 (CH) | 58.2 |
| 11 (CH2) | 35.6 |
| 12 (CH2) | 24.2 |
| 13 (C) | 42.4 |
| 14 (C) | 42.5 |
| 15 (CH2) | 30.3 |
| 16 (CH2) | 36.2 |
| 17 (C) | 30.6 |
| 18 (CH) | 43.7 |
| 19 (CH2) | 35.6 |
| 20 (C) | 28.5 |
| 21 (CH2) | 33.1 |
| 22 (CH2) | 39.3 |
| 23 (CH3) | 7 |
| 24 (CH3) | 14.7 |
| 25 (CH3) | 19.8 |
| 26 (CH3) | 17.9 |
| 27 (CH2) | 64.3 |
| 28 (CH3) | 32.1 |
| 29 (CH3) | 34.7 |
| 30 (CH3) | 31.9 |
