Spektraris NMR
(24S)-24,25-Epoxysunpollenol
Common Name: (24S)-24,25-Epoxysunpollenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O3/c1-20(11-12-24-25(2,3)33-24)21-13-15-29(8)22-14-16-30(26(4,5)31)23(10-9-19-32-30)27(22,6)17-18-28(21,29)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23-,24-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=WWWOCVBEDWYMAJ-YTXZDOLYSA-N
Formula: C30H52O3
Molecular Weight: 460.733211
Exact Mass: 460.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ukiya M., Akihisa T., Tokuda H., Koike K., Kimura Y., Asano T., Motohashi S., Nikaido T., Nishino H. J Nat Prod (2003) 66, 1476-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 17.3 |
| 2 (CH2) | 21.1 |
| 3 (CH2) | 58.6 |
| 4 (C) | 78.5 |
| 5 (C) | 80.2 |
| 6 (CH2) | 24.9 |
| 7 (CH2) | 19.7 |
| 8 (CH) | 42.8 |
| 9 (C) | 38.2 |
| 10 (CH) | 47.2 |
| 11 (CH2) | 38.1 |
| 12 (CH2) | 30.1 |
| 13 (C) | 46.1 |
| 14 (C) | 48.2 |
| 15 (CH2) | 33.9 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 50.3 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 19.8 |
| 20 (CH) | 35.8 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 32.7 |
| 23 (CH2) | 25.6 |
| 24 (CH) | 64.8 |
| 25 (C) | 58.4 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 24.9 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 26.4 |
| 30 (CH3) | 18.4 |
