Spektraris NMR
2-Methoxy-4-carbomethoxyphenyl 3b-hydroxy-lup-20(29)-en-28-oate
Common Name: 2-Methoxy-4-carbomethoxyphenyl 3b-hydroxy-lup-20(29)-en-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H56O6/c1-23(2)25-14-19-39(34(42)45-27-12-10-24(33(41)44-9)22-28(27)43-8)21-20-37(6)26(32(25)39)11-13-30-36(5)17-16-31(40)35(3,4)29(36)15-18-38(30,37)7/h10,12,22,25-26,29-32,40H,1,11,13-21H2,2-9H3/t25-,26+,29-,30+,31-,32-,36-,37+,38+,39-/m0/s1
InChIKey: InChIKey=VAOWMWFEZLPVAY-KAWAQDAVSA-N
Formula: C39H56O6
Molecular Weight: 620.859812
Exact Mass: 620.40769
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, B.S., Aslam, H., Ali, S.T., Begum, S., Khatoon, N. Chem Pharm Bull (2007) 55, 516-9
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) | 78.9 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.3 |
| 8 (C) | 40.7 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.2 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 25.5 |
| 13 (CH) | 38.3 |
| 14 (C) | 42.4 |
| 15 (CH2) | 30.5 |
| 16 (CH2) | 32.1 |
| 17 (C) | 56.2 |
| 18 (CH) | 46.8 |
| 19 (CH) | 49.2 |
| 20 (C) | 150.3 |
| 21 (CH2) | 29.7 |
| 22 (CH2) | 37 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 16 |
| 27 (CH3) | 16.1 |
| 28 (C) | 170.5 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.3 |
| 28a (C) | 150.1 |
| 28b (C) | 145.1 |
| 28c (CH) | 110.1 |
| 28d (C) | 131.8 |
| 28e (CH) | 124.1 |
| 28f (CH) | 114 |
| 28aa (CH3) | 55.3 |
| 28ba (CH3) | 56.1 |
| 28da (C) | 166.8 |
