Spektraris NMR
5alpha-Lupan-3beta-ol
Common Name: 5alpha-Lupan-3beta-ol
Synonyms: 5alpha-Lupan-3beta-ol
CAS Registry Number:
InChI: InChI=1S/C30H52O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-25,31H,9-18H2,1-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=UBLNLUPLUKPSPP-QGTGJCAVSA-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) | 38.7 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.8 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.4 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.1 |
| 10 (C) | 37.1 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 37.8 |
| 14 (C) | 43 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 35.5 |
| 17 (C) | 43.1 |
| 18 (CH) | 47.5 |
| 19 (CH) | 44.6 |
| 20 (CH) | 29.3 |
| 21 (CH2) | 21.9 |
| 22 (CH2) | 40.4 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 18 |
| 29 (CH3) | 15.1 |
| 30 (CH3) | 23 |
