Spektraris NMR
Ursan-20-ene-3b,22a-diol
Common Name: Ursan-20-ene-3b,22a-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-18-17-24(32)28(6)15-16-29(7)20(25(28)19(18)2)9-10-22-27(5)13-12-23(31)26(3,4)21(27)11-14-30(22,29)8/h17,19-25,31-32H,9-16H2,1-8H3/t19-,20-,21-,22+,23-,24-,25-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=NXPZMHDVGSXPBE-SMVUGQTGSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.X., Lin, C.J., Jia, Z.J. Planta Med (2006) 72, 764-7
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) | 38.9 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 79.2 |
| 4 (C) | 38.3 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 34.4 |
| 8 (C) | 41.2 |
| 9 (CH) | 50.8 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 27.8 |
| 13 (CH) | 38.8 |
| 14 (C) | 42.4 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 30 |
| 17 (C) | 39.1 |
| 18 (CH) | 41.1 |
| 19 (CH) | 36.6 |
| 20 (C) | 145.9 |
| 21 (CH) | 121.9 |
| 22 (CH) | 74.2 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 14.9 |
| 27 (CH3) | 16.3 |
| 28 (CH3) | 18.4 |
| 29 (CH3) | 23.1 |
| 30 (CH3) | 22 |
