Spektraris NMR
20a,21a-epoxy-taraxastane-3b,22a-diol
Common Name: 20a,21a-epoxy-taraxastane-3b,22a-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-17-22-18-9-10-20-26(4)13-12-21(31)25(2,3)19(26)11-14-29(20,7)28(18,6)16-15-27(22,5)23(32)24-30(17,8)33-24/h17-24,31-32H,9-16H2,1-8H3/t17-,18+,19-,20+,21-,22-,23-,24+,26-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=KLMFGFZBRNYAJW-PNANNSDTSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, J., Zhao, C., Zhang, Q., Liu, Z.L., Zheng, R., Yang, L. Phytochemistry (2001) 58, 1107-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 38.6 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 79 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 34.1 |
| 8 (C) | 41.2 |
| 9 (CH) | 49.9 |
| 10 (C) | 37 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 37 |
| 14 (C) | 43.3 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 34 |
| 17 (C) | 35.9 |
| 18 (CH) | 37.4 |
| 19 (CH) | 40.3 |
| 20 (C) | 70.5 |
| 21 (CH) | 60.8 |
| 22 (CH) | 65.7 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 15.3 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 15.5 |
| 28 (CH3) | 17.7 |
| 29 (CH3) | 17 |
| 30 (CH3) | 27.1 |
