Spektraris NMR
(1β,3β,5ξ,9ξ,13ξ,18ξ)-Lup-20(30)-ene-1,3,29-triol
Common Name: (1β,3β,5ξ,9ξ,13ξ,18ξ)-Lup-20(30)-ene-1,3,29-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-18(17-31)19-10-12-27(4)14-15-28(5)20(25(19)27)8-9-22-29(28,6)13-11-21-26(2,3)23(32)16-24(33)30(21,22)7/h19-25,31-33H,1,8-17H2,2-7H3/t19-,20+,21-,22-,23-,24+,25+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=GVYIGTMZMGNPPT-AXLUDCLJSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rauter, A.M., Branco, I., Lopes, R.G., Justino, J., Silva, F.V.M., Noronha, J.P., Cabrita, E.J., Brouard, I., Bermejo, J. Fitoterapia (2007) 78, 474-81
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH) | 79.02 |
| 2 (CH2) | 38.07 |
| 3 (CH) | 75.7 |
| 4 (C) | 38.86 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 17.94 |
| 7 (CH2) | 34.1 |
| 8 (C) | 41.35 |
| 9 (CH) | 51.39 |
| 10 (C) | 43.4 |
| 11 (CH2) | 23.84 |
| 12 (CH2) | 26.64 |
| 13 (CH) | 37.54 |
| 14 (C) | 42.92 |
| 15 (CH2) | 27.46 |
| 16 (CH2) | 35.48 |
| 17 (C) | 42.92 |
| 18 (CH) | 48.98 |
| 19 (CH) | 43.82 |
| 20 (C) | 154.73 |
| 21 (CH2) | 29.68 |
| 22 (CH2) | 39.83 |
| 23 (CH3) | 27.84 |
| 24 (CH3) | 14.93 |
| 25 (CH3) | 11.88 |
| 26 (CH3) | 16.23 |
| 27 (CH3) | 14.42 |
| 28 (CH3) | 17.73 |
| 29 (CH2) | 107.02 |
| 30 (CH2) | 65.04 |
