Spektraris NMR
Lupane-20-ol
Common Name: Lupane-20-ol
Synonyms: Lupane-20-ol
CAS Registry Number:
InChI: InChI=1S/C30H52O/c1-25(2)14-9-15-28(6)22(25)13-17-30(8)23(28)11-10-21-24-20(26(3,4)31)12-16-27(24,5)18-19-29(21,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=OPPOTUFXQFCCNP-MTECWPQZSA-N
Formula: C30H52O1
Molecular Weight: 428.734401
Exact Mass: 428.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nozaki H., Matsuura Y., Hirono S., Kasai R., J C., Lee K. J Nat Prod (1990) 53, 1039
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) | 40.2 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 34.5 |
| 8 (C) | 41.5 |
| 9 (CH) | 50.2 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 29.1 |
| 13 (CH) | 37.4 |
| 14 (C) | 43.5 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 35.5 |
| 17 (C) | 44.6 |
| 18 (CH) | 48.2 |
| 19 (CH) | 49.9 |
| 20 (C) | 73.3 |
| 21 (CH2) | 28.7 |
| 22 (CH2) | 40.2 |
| 23 (CH3) | 33.3 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 14.8 |
| 28 (CH3) | 19.2 |
| 29 (CH3) | 24.8 |
| 30 (CH3) | 31.4 |
