Spektraris NMR
3b,6b-Dihydroxylup-20(29)-ene
Common Name: 3b,6b-Dihydroxylup-20(29)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-29(7)20(24(19)27)9-10-22-28(6)14-12-23(32)26(3,4)25(28)21(31)17-30(22,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22+,23-,24+,25-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=DSXMIKAVZFWLFV-CWSOLWDWSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nunez, M.J., Reyes, C.P., Jimenez, I.A., Moujir, L., Bazzocchi, I.L. J Nat Prod (2005) 68, 1018-21
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) | 40.7 |
| 2 (CH2) | 29.7 |
| 3 (CH) | 79.1 |
| 4 (C) | 39.6 |
| 5 (CH) | 55.6 |
| 6 (CH) | 69 |
| 7 (CH2) | 42.1 |
| 8 (C) | 39.9 |
| 9 (CH) | 51.9 |
| 10 (C) | 36.7 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 25.3 |
| 13 (CH) | 37.2 |
| 14 (C) | 43 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 35.5 |
| 17 (C) | 43.1 |
| 18 (CH) | 48.4 |
| 19 (CH) | 48 |
| 20 (C) | 150.9 |
| 21 (CH2) | 29.9 |
| 22 (CH2) | 40 |
| 23 (CH3) | 27.6 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 14.9 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.4 |
| 30 (CH3) | 19.3 |
