Spektraris NMR
Ircinin-1
Common Name: Ircinin-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O5/c1-17(6-4-8-18(2)12-23-24(26)19(3)25(27)30-23)7-5-9-20-13-22(29-16-20)14-21-10-11-28-15-21/h7,10-13,15-16,18,26H,4-6,8-9,14H2,1-3H3/b17-7+,23-12-/t18-/m1/s1
InChIKey: InChIKey=GOKZWKYAKOVREM-MAKIOEOWSA-N
Formula: C25H30O5
Molecular Weight: 410.503645
Exact Mass: 410.209324
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liu, Y., Bae, B.H., Alam, N., Hong, J., Sim, C.J., Lee, C.O., Im, K.S., Jung, J.H. J Nat Prod (2001) 64, 1301-4
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) | 144 |
| 2 (CH) | 112.1 |
| 3 (C) | 123 |
| 4 (CH) | 140.9 |
| 5 (CH2) | 24.7 |
| 6 (C) | 155.4 |
| 7 (CH) | 108.2 |
| 8 (C) | 127 |
| 9 (CH) | 138.6 |
| 10 (CH2) | 26.1 |
| 11 (CH2) | 29.5 |
| 12 (CH) | 125.2 |
| 13 (C) | 136.6 |
| 14 (CH3) | 15.9 |
| 15 (CH2) | 40.5 |
| 16 (CH2) | 26.8 |
| 17 (CH2) | 37.8 |
| 18 (CH) | 31.6 |
| 19 (CH3) | 21.2 |
| 20 (CH) | 113.3 |
| 21 (C) | 147.9 |
| 22 (C) | 173.7 |
| 23 (C) | 94 |
| 24 (C) | 176.7 |
| 25 (CH3) | 5.9 |
