Spektraris NMR
kairatenol
Common Name: kairatenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-25(2)15-9-10-20-21-11-12-23-27(5)16-14-24(31)26(3,4)22(27)13-17-30(23,8)29(21,7)19-18-28(20,25)6/h11,20,22-24,31H,9-10,12-19H2,1-8H3/t20-,22-,23+,24-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=MFPHRBDWUYSONT-DBHNWWQGSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chakravarty A. K., Mukhopadhyay S., K M., Ageta H. Tetrahedron Lett (1992) 33, 125
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Gammaceranes; 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) | 37.9 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 79.1 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 32.4 |
| 8 (C) | 39.4 |
| 9 (CH) | 48.4 |
| 10 (C) | 36.6 |
| 11 (CH2) | 23.2 |
| 12 (CH) | 117.5 |
| 13 (C) | 146.7 |
| 14 (C) | 41.8 |
| 15 (CH2) | 24.6 |
| 16 (CH2) | 29.2 |
| 17 (C) | 37.4 |
| 18 (CH) | 41.7 |
| 19 (CH2) | 23.9 |
| 20 (CH2) | 21.9 |
| 21 (CH2) | 36.2 |
| 22 (C) | 37.7 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.3 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 21.5 |
| 28 (CH3) | 21.3 |
| 29 (CH3) | 25.5 |
| 30 (CH3) | 22.2 |
