Spektraris NMR
Irciformonin A
Common Name: Irciformonin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-17(6-4-8-18-11-15-26-16-18)7-5-12-21(2,25)13-9-19(23)22(3)14-10-20(24)27-22/h5-6,11-12,15-16,19,23,25H,4,7-10,13-14H2,1-3H3/b12-5+,17-6+/t19-,21-,22+/m1/s1
InChIKey: InChIKey=LMCVGYPFPPMZGR-KCCPBDTLSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
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) | 142.5 |
| 2 (CH) | 111.1 |
| 3 (C) | 124.8 |
| 4 (CH) | 138.8 |
| 5 (CH2) | 24.9 |
| 6 (CH2) | 28.4 |
| 7 (CH) | 124.6 |
| 8 (C) | 134.5 |
| 9 (CH3) | 16.1 |
| 10 (CH2) | 42.3 |
| 11 (CH) | 125.9 |
| 12 (CH) | 136.3 |
| 13 (C) | 83.3 |
| 14 (CH3) | 27.2 |
| 15 (CH2) | 37.3 |
| 16 (CH2) | 27 |
| 17 (CH) | 82.6 |
| 18 (C) | 87.5 |
| 19 (CH2) | 29.5 |
| 20 (CH2) | 29.6 |
| 21 (C) | 177.1 |
| 22 (CH3) | 22.8 |
