Spektraris NMR
lupan-3beta,20-diol
Common Name: lupan-3beta,20-diol
Synonyms: lupan-3beta,20-diol
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,24-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=YDNYDUBBAZTLTQ-LIVJDELJSA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yuruker, A., Orjala, J., Sticher, O., Rali, T. Phytochemistry (1998) 48, 863-6
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) | 38.7 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 79 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.6 |
| 8 (C) | 41.4 |
| 9 (CH) | 50.3 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 27.4 |
| 13 (CH) | 37.5 |
| 14 (C) | 43.6 |
| 15 (CH2) | 28.8 |
| 16 (CH2) | 35.6 |
| 17 (C) | 44.7 |
| 18 (CH) | 48.3 |
| 19 (CH) | 50 |
| 20 (C) | 73.5 |
| 21 (CH2) | 29.1 |
| 22 (CH2) | 40.2 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 14.9 |
| 28 (CH3) | 19.2 |
| 29 (CH3) | 24.8 |
| 30 (CH3) | 31.6 |
