Spektraris NMR
Isoiguesterin
Common Name: Isoiguesterin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-8,16,23,30H,1,9-15H2,2-6H3/t23-,25-,26+,27-,28+/m1/s1
InChIKey: InChIKey=RUVGAOXZLPFVKY-IPTPSVHJSA-N
Formula: C28H36O2
Molecular Weight: 404.585282
Exact Mass: 404.27153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sneden A.T. J Nat Prod (1981) 44, 503
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) | 119.6 |
| 2 (C) | 178.4 |
| 3 (C) | 117.2 |
| 4 (C) | 127.3 |
| 5 (C) | 146.1 |
| 6 (CH) | 134 |
| 7 (CH) | 117.9 |
| 8 (C) | 165.2 |
| 9 (C) | 31.7 |
| 10 (C) | 170.3 |
| 11 (CH2) | 28.5 |
| 12 (CH2) | 29.8 |
| 13 (C) | 41.4 |
| 14 (C) | 43 |
| 15 (CH2) | 30.5 |
| 16 (CH2) | 30.6 |
| 17 (C) | 44.9 |
| 18 (CH) | 45 |
| 19 (CH2) | 34 |
| 20 (C) | 148 |
| 21 (CH2) | 36.1 |
| 22 (CH2) | 37 |
| 24 (CH3) | 10.4 |
| 25 (CH3) | 39 |
| 26 (CH3) | 21.3 |
| 27 (CH3) | 19.7 |
| 28 (CH3) | 31.2 |
| 29 (CH2) | 108.3 |
