Spektraris NMR
arabidiol 21,30-epoxide
Common Name: arabidiol 21,30-epoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O3/c1-20(11-14-25-27(4,5)33-25)10-9-17-30(8,32)23-13-12-22-28(6)19-16-24(31)26(2,3)21(28)15-18-29(22,23)7/h10,21-25,31-32H,9,11-19H2,1-8H3/b20-10+/t21-,22+,23+,24-,25-,28-,29+,30-/m0/s1
InChIKey: InChIKey=LOSIFDMBAMXYSA-RPPYXEQPSA-N
Formula: C30H52O3
Molecular Weight: 460.733211
Exact Mass: 460.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xiang, T., Shibuya, M., Katsube, Y., Tsutsumi, T., Otsuka, M., Zhang, H., Masuda, K., Ebizuka, Y. Org Lett (2006) 8, 2835-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Isomalabaricanes; 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) | 38.7 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 79.2 |
| 4 (C) | 38.7 |
| 5 (CH) | 56 |
| 6 (CH2) | 19 |
| 7 (CH2) | 42.4 |
| 8 (C) | 43.9 |
| 9 (CH) | 63.1 |
| 10 (C) | 36.7 |
| 11 (CH2) | 19.2 |
| 12 (CH2) | 21.9 |
| 13 (CH) | 58.5 |
| 14 (C) | 74.9 |
| 15 (CH2) | 43.8 |
| 16 (CH2) | 22.8 |
| 17 (CH) | 125 |
| 18 (CH3) | 25.7 |
| 19 (CH3) | 15.8 |
| 20 (C) | 134.2 |
| 21 (CH3) | 16 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 27.4 |
| 24 (CH) | 64.2 |
| 25 (C) | 58.3 |
| 26 (CH3) | 24.9 |
| 27 (CH3) | 18.8 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 15.2 |
| 30 (CH3) | 15.7 |
