Spektraris NMR
(18alpha,19alpha)-Urs-20(30)-ene-3beta,12beta-diol
Common Name: (18alpha,19alpha)-Urs-20(30)-ene-3beta,12beta-diol
Synonyms: (18alpha,19alpha)-Urs-20(30)-ene-3beta,12beta-diol
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-18-9-12-27(5)15-16-30(8)25(24(27)19(18)2)20(31)17-22-28(6)13-11-23(32)26(3,4)21(28)10-14-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23+,24-,25-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=ZUDRQVXNYKACMX-QEPYBGTRSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ma, H.L., Qin, J.Y., Wang, L., Yang, S.X., Chiu, M.H., Zhang, X.M., Gao, J.M. Chem Nat Compd (2008) 44, 44-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxastanes; 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 |
| 3 (CH) | 75.6 |
| 4 (C) | 39.6 |
| 5 (CH) | 53.9 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 34.7 |
| 8 (C) | 41.9 |
| 9 (CH) | 52.2 |
| 10 (C) | 42.5 |
| 11 (CH2) | 24.7 |
| 12 (CH) | 79.6 |
| 13 (CH) | 39.7 |
| 14 (C) | 44.2 |
| 15 (CH2) | 27 |
| 16 (CH2) | 39.6 |
| 17 (C) | 34.7 |
| 18 (CH) | 48.8 |
| 19 (CH) | 39.4 |
| 20 (C) | 155 |
| 21 (CH2) | 26 |
| 22 (CH2) | 39.3 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 15 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 13.2 |
| 28 (CH3) | 19.9 |
| 29 (CH3) | 25.5 |
| 30 (CH2) | 107.5 |
