Spektraris NMR
Sunpollenol
Common Name: Sunpollenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)23-14-16-29(8)24-15-17-30(26(4,5)31)25(13-10-20-32-30)27(24,6)18-19-28(23,29)7/h11,22-25,31H,9-10,12-20H2,1-8H3/t22-,23-,24-,25-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=JNEHSZSTSJZRIW-SOHIRCJKSA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
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) | 38.1 |
| 10 (CH) | 47.2 |
| 11 (CH2) | 38.2 |
| 12 (CH2) | 30.1 |
| 13 (C) | 46.1 |
| 14 (C) | 48.2 |
| 15 (CH2) | 33.9 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 19.8 |
| 20 (CH) | 35.8 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 36.4 |
| 23 (CH2) | 24.9 |
| 24 (CH) | 125.2 |
| 25 (C) | 130.9 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 26.4 |
| 30 (CH3) | 18.4 |
