Spektraris NMR
20,29,30-Trinorlupa-18-ene-3beta-ol
Common Name: 20,29,30-Trinorlupa-18-ene-3beta-ol
Synonyms: 20,29,30-Trinorlupa-18-ene-3beta-ol
CAS Registry Number:
InChI: InChI=1S/C27H44O/c1-23(2)20-11-15-27(6)21(25(20,4)14-12-22(23)28)10-9-19-18-8-7-13-24(18,3)16-17-26(19,27)5/h8,19-22,28H,7,9-17H2,1-6H3/t19-,20+,21-,22+,24-,25+,26-,27-/m1/s1
InChIKey: InChIKey=HKKMGGKMNHKQMC-PMEZWALUSA-N
Formula: C27H44O1
Molecular Weight: 384.638667
Exact Mass: 384.339216
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shan, H., Wilson, W.K., Philips, D.R., Bartel, B., Matsuda, S.P.T. Org Lett (2008) 10, 1897-900
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) | 27.43 |
| 3 (CH) | 78.97 |
| 4 (C) | 38.96 |
| 5 (CH) | 55.54 |
| 6 (CH2) | 18.28 |
| 7 (CH2) | 34.51 |
| 8 (C) | 40.47 |
| 9 (CH) | 51.2 |
| 10 (C) | 37.31 |
| 11 (CH2) | 20.86 |
| 12 (CH2) | 25.85 |
| 13 (CH) | 37.42 |
| 14 (C) | 42.75 |
| 15 (CH2) | 28.32 |
| 16 (CH2) | 37.09 |
| 17 (C) | 45.62 |
| 18 (C) | 153.22 |
| 19 (CH) | 118.95 |
| 21 (CH2) | 29.82 |
| 22 (CH2) | 41.51 |
| 23 (CH3) | 27.95 |
| 24 (CH3) | 15.37 |
| 25 (CH3) | 16.61 |
| 26 (CH3) | 15.74 |
| 27 (CH3) | 14.77 |
| 28 (CH3) | 23.71 |
