Spektraris NMR
27-O-cis-p-Coumaroylcylicodiscic acid
Common Name: 27-O-cis-p-Coumaroylcylicodiscic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H55NO5/c1-24(2)27-15-20-38(34(44)45)21-22-39(23-40-32(43)14-9-25-7-10-26(41)11-8-25)28(33(27)38)12-13-30-36(5)18-17-31(42)35(3,4)29(36)16-19-37(30,39)6/h7-11,14,27-31,33,41-42H,1,12-13,15-23H2,2-6H3,(H,40,43)(H,44,45)/b14-9-/t27-,28+,29-,30+,31-,33+,36-,37+,38-,39-/m0/s1
InChIKey: InChIKey=HEZKBQILJWMFKE-KIFCVSEDSA-N
Formula: C39H55N1O5
Molecular Weight: 617.859209
Exact Mass: 617.408024
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Cortez, D.A.G., Young, M.C.M., Marston, A., Wolfender, J.L., Hostettmann, K. Phytochemistry (1998) 47, 1367-74
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) | 39.01 |
| 2 (CH2) | 24.18 |
| 3 (CH) | 78.88 |
| 4 (C) | 37.48 |
| 5 (CH) | 55.33 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 35.16 |
| 8 (C) | 41.51 |
| 9 (CH) | 51.7 |
| 10 (C) | 37.45 |
| 11 (CH2) | 20.93 |
| 12 (CH2) | 25.14 |
| 13 (CH) | 39.14 |
| 14 (C) | 45.45 |
| 15 (CH2) | 29.68 |
| 16 (CH2) | 32.54 |
| 17 (C) | 56.05 |
| 18 (CH) | 49.49 |
| 19 (CH) | 46.85 |
| 20 (C) | 150.05 |
| 21 (CH2) | 30.42 |
| 22 (CH2) | 36.71 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 15.43 |
| 25 (CH3) | 16.63 |
| 26 (CH3) | 16.55 |
| 27 (CH2) | 63.33 |
| 28 (C) | 181.06 |
| 29 (CH2) | 109.94 |
| 30 (CH3) | 19.5 |
| 27a (C) | 167.72 |
| 27b (CH) | 116.92 |
| 27c (CH) | 143.81 |
| 27d (C) | 126.68 |
| 27e (CH) | 115.96 |
| 27f (CH) | 132.35 |
| 27g (C) | 157.38 |
| 27h (CH) | 132.35 |
| 27i (CH) | 115.96 |
