Spektraris NMR
(3β,5ξ,13ξ,16β)-3,16-Dihydroxylup-20(29)-en-28-oic acid
Common Name: (3β,5ξ,13ξ,16β)-3,16-Dihydroxylup-20(29)-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17(2)18-10-15-30(25(33)34)23(32)16-29(7)19(24(18)30)8-9-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20-,21+,22-,23-,24+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=INZNDYMBKAHLKV-SWRHGBPDSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mbaze, L.M., Poumale, H.M.P., Wansi, J.P., Lado, J.A., Khan, S.N., Iqbal, M.C., Ngadjui, B.T., Laatsch, H. Phytochemistry (2007) 68, 591
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 (CH2) | 38.9 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 77.1 |
| 4 (C) | 39.3 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 34.3 |
| 8 (C) | 41.6 |
| 9 (CH) | 50.1 |
| 10 (C) | 37.9 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 25 |
| 13 (CH) | 38.4 |
| 14 (C) | 44.2 |
| 15 (CH2) | 39.9 |
| 16 (CH) | 75.9 |
| 17 (C) | 62.1 |
| 18 (CH) | 49 |
| 19 (CH) | 48.6 |
| 20 (C) | 149.9 |
| 21 (CH2) | 32.3 |
| 22 (CH2) | 36.5 |
| 23 (CH3) | 28.5 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 16.1 |
| 28 (C) | 178.1 |
| 29 (CH2) | 110.4 |
| 30 (CH3) | 19.4 |
