Spektraris NMR
Kokononol
Common Name: Kokononol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19-20(32)8-9-21-27(19,5)11-10-22-28(21,6)13-15-30(18-31)23-16-25(2,3)24(33)17-26(23,4)12-14-29(22,30)7/h19,21-23,31H,8-18H2,1-7H3/t19-,21+,22-,23+,26-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=ZHJWYVRDMOUNPD-GNYNGVDFSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
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) | 212.9 |
| 4 (CH) | 60 |
| 5 (C) | 42.4 |
| 6 (CH2) | 41.6 |
| 7 (CH2) | 20.7 |
| 8 (CH) | 53.6 |
| 9 (C) | 37.6 |
| 10 (CH) | 58.2 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 24.5 |
| 13 (C) | 42.4 |
| 14 (C) | 42.4 |
| 15 (CH2) | 30.4 |
| 16 (CH2) | 36.1 |
| 17 (C) | 33.7 |
| 18 (CH) | 42.6 |
| 19 (CH2) | 37.5 |
| 20 (C) | 43 |
| 21 (C) | 218.4 |
| 22 (CH2) | 55 |
| 23 (CH3) | 7 |
| 24 (CH3) | 14.7 |
| 25 (CH3) | 19.6 |
| 26 (CH3) | 17.5 |
| 27 (CH2) | 64.7 |
| 28 (CH3) | 33.1 |
| 29 (CH3) | 28.8 |
| 30 (CH3) | 25 |
