Spektraris NMR
3b-Acetoxy-27-{[(E)-3-phenylprop-2-enoyl]oxy}lup-20(29)-en-28-oic Acid Methyl Ester
![3b-Acetoxy-27-{[(E)-3-phenylprop-2-enoyl]oxy}lup-20(29)-en-28-oic Acid Methyl Ester](/nmr/static/nmr/svg/19335.svg)
Common Name: 3b-Acetoxy-27-{[(E)-3-phenylprop-2-enoyl]oxy}lup-20(29)-en-28-oic Acid Methyl Ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H58O6/c1-27(2)30-18-23-41(37(45)46-8)24-25-42(26-47-35(44)17-14-29-12-10-9-11-13-29)31(36(30)41)15-16-33-39(6)21-20-34(48-28(3)43)38(4,5)32(39)19-22-40(33,42)7/h9-14,17,30-34,36H,1,15-16,18-26H2,2-8H3/b17-14+/t30-,31+,32-,33+,34-,36+,39-,40+,41-,42-/m0/s1
InChIKey: InChIKey=LGRWUIDVORJIKH-VZBGJRLWSA-N
Formula: C42H58O6
Molecular Weight: 658.907901
Exact Mass: 658.42334
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pan, M.H., Chen, C.M., Lee, S.W., Chen, Z.T. Chem Biodivers (2008) 5, 565-74
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) | 23.7 |
| 3 (CH) | 80.8 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 35.3 |
| 8 (C) | 41.5 |
| 9 (CH) | 51.8 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21 |
| 12 (CH2) | 5.2 |
| 13 (CH) | 39 |
| 14 (C) | 45.5 |
| 15 (CH2) | 24.1 |
| 16 (CH2) | 32.5 |
| 17 (C) | 56.3 |
| 18 (CH) | 49.7 |
| 19 (CH) | 46.9 |
| 20 (C) | 150.2 |
| 21 (CH2) | 30.4 |
| 22 (CH2) | 36.6 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 16.4 |
| 27 (CH2) | 63.3 |
| 28 (C) | 176.7 |
| 29 (CH2) | 110 |
| 30 (CH3) | 19.4 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.3 |
| 27a (C) | 167 |
| 27b (CH) | 118.4 |
| 27c (CH) | 144.6 |
| 27d (C) | 134.4 |
| 27e (CH) | 128.2 |
| 27f (CH) | 128.9 |
| 27g (CH) | 130.3 |
| 27h (CH) | 128.9 |
| 27i (CH) | 128.2 |
| 28a (CH3) | 51.4 |
