Spektraris NMR
3beta-trans-Feruloyloxy-16beta-hydroxylup-20(29)-en
Common Name: 3beta-trans-Feruloyloxy-16beta-hydroxylup-20(29)-en
Synonyms: 3beta-trans-Feruloyloxy-16beta-hydroxylup-20(29)-en
CAS Registry Number:
InChI: InChI=1S/C40H58O5/c1-24(2)26-16-19-38(6)32(42)23-40(8)27(35(26)38)12-14-31-37(5)20-18-33(36(3,4)30(37)17-21-39(31,40)7)45-34(43)15-11-25-10-13-28(41)29(22-25)44-9/h10-11,13,15,22,26-27,30-33,35,41-42H,1,12,14,16-21,23H2,2-9H3/b15-11+/t26-,27+,30-,31+,32-,33-,35+,37-,38+,39+,40+/m0/s1
InChIKey: InChIKey=VTXNMTBJJJVGHJ-CJINECEASA-N
Formula: C40H58O5
Molecular Weight: 618.887024
Exact Mass: 618.428425
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) | 38.5 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 80.7 |
| 4 (C) | 38.1 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41 |
| 9 (CH) | 49.9 |
| 10 (C) | 37.1 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 24.7 |
| 13 (CH) | 37.3 |
| 14 (C) | 44.1 |
| 15 (CH2) | 36.9 |
| 16 (CH) | 77.1 |
| 17 (C) | 48.6 |
| 18 (CH) | 47.7 |
| 19 (CH) | 47.6 |
| 20 (C) | 150 |
| 21 (CH2) | 29.9 |
| 22 (CH2) | 37.7 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 16.22 |
| 26 (CH3) | 16 |
| 27 (CH3) | 16.17 |
| 28 (CH3) | 11.7 |
| 29 (CH2) | 109.9 |
| 30 (CH3) | 19.3 |
| 1' (C) | 127.1 |
| 2' (CH) | 109.2 |
| 3' (C) | 146.7 |
| 4' (C) | 147.8 |
| 5' (CH) | 114.7 |
| 6' (CH) | 123.1 |
| 7' (CH) | 144.4 |
| 8' (CH) | 116.2 |
| 9' (C) | 167.1 |
| 3'a (CH3) | 56 |
