Spektraris NMR
6-Oxoisoiguesterin
Common Name: 6-Oxoisoiguesterin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O3/c1-16-7-8-25(3)9-11-28(6)22-15-19(29)23-17(2)24(31)20(30)14-18(23)26(22,4)10-12-27(28,5)21(25)13-16/h14-15,21,30-31H,1,7-13H2,2-6H3/t21?,25-,26+,27+,28-/m1/s1
InChIKey: InChIKey=XVIQCCFXDXUXNE-NMHCUNTNSA-N
Formula: C28H36O3
Molecular Weight: 420.584687
Exact Mass: 420.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Thiem, D.A., Sneden, A.T., Khan, S.I., Tekwani, B.L. J Nat Prod (2005) 68, 251-4
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) | 125.6 |
| 2 (C) | 147.7 |
| 3 (C) | 140.3 |
| 4 (C) | 125.1 |
| 5 (C) | 122.6 |
| 6 (C) | 187.7 |
| 7 (CH) | 108.8 |
| 8 (C) | 172.1 |
| 9 (C) | 44.4 |
| 10 (C) | 151.9 |
| 11 (CH2) | 34.4 |
| 12 (CH2) | 29.9 |
| 13 (C) | 40.8 |
| 14 (C) | 40.1 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 36.8 |
| 17 (C) | 31.6 |
| 18 (CH) | 44.8 |
| 19 (CH2) | 30.5 |
| 20 (C) | 148.2 |
| 21 (CH2) | 30.3 |
| 22 (CH2) | 36 |
| 23 (CH3) | 13.6 |
| 25 (CH3) | 38.4 |
| 26 (CH3) | 20.4 |
| 27 (CH3) | 19.6 |
| 28 (CH3) | 31.1 |
| 29 (CH2) | 106.5 |
