Spektraris NMR
3beta-trans-Sinapoyloxylup-20(29)-en-28-ol
Common Name: 3beta-trans-Sinapoyloxylup-20(29)-en-28-ol
Synonyms: 3beta-trans-Sinapoyloxylup-20(29)-en-28-ol
CAS Registry Number:
InChI: InChI=1S/C41H60O6/c1-25(2)27-14-19-41(24-42)21-20-39(6)28(35(27)41)11-12-32-38(5)17-16-33(37(3,4)31(38)15-18-40(32,39)7)47-34(43)13-10-26-22-29(45-8)36(44)30(23-26)46-9/h10,13,22-23,27-28,31-33,35,42,44H,1,11-12,14-21,24H2,2-9H3/b13-10+/t27-,28+,31-,32+,33-,35+,38-,39+,40+,41+/m0/s1
InChIKey: InChIKey=FUWIZRPADCCJBJ-XTAFKLMRSA-N
Formula: C41H60O6
Molecular Weight: 648.913047
Exact Mass: 648.43899
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hwang B.Y., Chai H.B., Kardono L.B., Riswan S., Farnsworth N.R., Cordell G.A., Pezzuto J.M., Kinghorn A.D. Phytochemistry (2003) 62, 197-201
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) | 38.4 |
| 2 (CH2) | 23.9 |
| 3 (CH) | 80.9 |
| 4 (C) | 38.1 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41 |
| 9 (CH) | 50.3 |
| 10 (C) | 37.1 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 25.2 |
| 13 (CH) | 37.3 |
| 14 (C) | 42.7 |
| 15 (CH2) | 27 |
| 16 (CH2) | 29.2 |
| 17 (C) | 47.8 |
| 18 (CH) | 48.7 |
| 19 (CH) | 47.8 |
| 20 (C) | 150.5 |
| 21 (CH2) | 29.7 |
| 22 (CH2) | 34 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 16 |
| 27 (CH3) | 14.7 |
| 28 (CH2) | 60.6 |
| 29 (CH2) | 109.8 |
| 30 (CH3) | 19.1 |
| 1' (C) | 126.1 |
| 2' (CH) | 105 |
| 3' (C) | 147.2 |
| 4' (C) | 137 |
| 5' (C) | 147.2 |
| 6' (CH) | 105 |
| 7' (CH) | 144.6 |
| 8' (CH) | 116.6 |
| 9' (C) | 167 |
| 3'a (CH3) | 56.4 |
| 5'a (CH3) | 56.4 |
