Spektraris NMR
Cognatine
Common Name: Cognatine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O7/c1-15-13-30(5)21(14-31(6,27(36)38-8)26(35)25(30)34)29(4)10-9-28(3)17-11-20(33)24(37-7)16(2)22(17)19(32)12-18(28)23(15)29/h11-12,21,26,33,35H,9-10,13-14H2,1-8H3/t21-,26-,28-,29-,30+,31-/m0/s1
InChIKey: InChIKey=UEULPUBYHGYCFW-LEUGNMFFSA-N
Formula: C31H38O7
Molecular Weight: 522.630396
Exact Mass: 522.261754
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jeller, A.H., Silva, D.H., Liao, L.M., Bolzani Vda, S., Furlan, M. Phytochemistry (2004) 65, 1977-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) | 110.1 |
| 2 (C) | 151.7 |
| 3 (C) | 144.7 |
| 4 (C) | 134 |
| 5 (C) | 122.4 |
| 6 (C) | 185.8 |
| 7 (CH) | 129.3 |
| 8 (C) | 160.1 |
| 9 (C) | 42.2 |
| 10 (C) | 151.2 |
| 11 (CH2) | 37.1 |
| 12 (CH2) | 35.8 |
| 13 (C) | 40.7 |
| 14 (C) | 134.7 |
| 15 (C) | 125.9 |
| 16 (CH2) | 38 |
| 17 (C) | 48.8 |
| 18 (CH) | 46.2 |
| 19 (CH2) | 34.2 |
| 20 (C) | 50.3 |
| 21 (CH) | 74.3 |
| 22 (C) | 214 |
| 23 (CH3) | 15.1 |
| 25 (CH3) | 21.6 |
| 26 (CH3) | 21.7 |
| 27 (CH3) | 23.9 |
| 28 (CH3) | 22.5 |
| 29 (C) | 175.2 |
| 30 (CH3) | 13.7 |
| 3a (CH3) | 61.7 |
| 29a (CH3) | 52.7 |
