Spektraris NMR
28-Norurs-12-ene-2alpha,3beta,19alpha-triol
Common Name: 28-Norurs-12-ene-2alpha,3beta,19alpha-triol
Synonyms: 28-Norurs-12-ene-2alpha,3beta,19alpha-triol
CAS Registry Number:
InChI: InChI=1S/C29H48O3/c1-17-8-9-18-12-14-27(5)19(23(18)29(17,7)32)10-11-22-26(4)16-20(30)24(31)25(2,3)21(26)13-15-28(22,27)6/h10,17-18,20-24,30-32H,8-9,11-16H2,1-7H3/t17-,18-,20-,21+,22-,23-,24+,26+,27-,28-,29-/m1/s1
InChIKey: InChIKey=JCCNBMSYOQTOON-DOIBIPPYSA-N
Formula: C29H48O3
Molecular Weight: 444.690712
Exact Mass: 444.360345
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Han, Y.F., Pan, J., Gao, K., Jia, Z.J. Chem Pharm Bull (2005) 53, 1338-41
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) | 48.4 |
| 2 (CH) | 69.8 |
| 3 (CH) | 84.8 |
| 4 (C) | 40.8 |
| 5 (CH) | 57 |
| 6 (CH2) | 20 |
| 7 (CH2) | 34.3 |
| 8 (C) | 41.4 |
| 9 (CH) | 48.7 |
| 10 (C) | 39.5 |
| 11 (CH2) | 25 |
| 12 (CH) | 129.6 |
| 13 (C) | 140.5 |
| 14 (C) | 43 |
| 15 (CH2) | 29.9 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 39.3 |
| 18 (CH) | 55.4 |
| 19 (C) | 73.9 |
| 20 (CH) | 43.4 |
| 21 (CH2) | 27.6 |
| 22 (CH2) | 26.9 |
| 23 (CH3) | 29.6 |
| 24 (CH3) | 17.3 |
| 25 (CH3) | 16.9 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 25 |
| 29 (CH3) | 31.1 |
| 30 (CH3) | 20 |
