Spektraris NMR
Irciformonin C
Common Name: Irciformonin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O7/c1-16(7-5-9-17-15-20(28-4)29-21(17)26)8-6-12-22(2,27)13-10-18(24)23(3)14-11-19(25)30-23/h6-7,12,17-18,20,24,27H,5,8-11,13-15H2,1-4H3/b12-6+,16-7+/t17?,18-,20?,22-,23+/m1/s1
InChIKey: InChIKey=GLTVGOKDQKIRJV-XFMSJXMVSA-N
Formula: C23H36O7
Molecular Weight: 424.528627
Exact Mass: 424.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.-C., Lo, K.-L., Lin, Y.-C., Khalil, A.T., Kuo, Y.-H., Shih, P.-S. Tetrahedron Lett (2006) 47, 4007-10
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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) | 102.4 |
| 2 (CH2) | 142.2 |
| 3 (CH) | 138 |
| 4 (C) | 171.4 |
| 5 (CH2) | 25.3 |
| 6 (CH2) | 27 |
| 7 (CH) | 123.2 |
| 8 (C) | 135.7 |
| 9 (CH3) | 16.5 |
| 10 (CH2) | 42.2 |
| 11 (CH) | 125.6 |
| 12 (CH) | 136.6 |
| 13 (C) | 83.4 |
| 14 (CH3) | 27.2 |
| 15 (CH2) | 37.3 |
| 16 (CH2) | 27 |
| 17 (CH) | 82.7 |
| 18 (C) | 87.5 |
| 19 (CH2) | 29.3 |
| 20 (CH2) | 29.4 |
| 21 (C) | 177 |
| 22 (CH3) | 22.9 |
| 1a (CH3) | 57 |
