Spektraris NMR
Insulicolide A
Common Name: Insulicolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H25NO8/c1-20(11-24)8-3-9-21(2)17(20)16(10-15-19(26)30-12-22(15,21)27)31-18(25)13-4-6-14(7-5-13)23(28)29/h4-7,10,16-17,24,27H,3,8-9,11-12H2,1-2H3/t16-,17+,20-,21+,22-/m1/s1
InChIKey: InChIKey=ISKLVGANHNNXLD-PNBTUHDLSA-N
Formula: C22H25N1O8
Molecular Weight: 431.436691
Exact Mass: 431.158017
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Rahbaek, L., Christophersen, C., Frisvad, J., Bengaard, H.S., Larsen, S., Rassing, B.R. J Nat Prod (1997) 60, 811-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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 (CH2) | 31.8 |
| 2 (CH2) | 17.2 |
| 3 (CH2) | 35.4 |
| 4 (C) | 38.9 |
| 5 (CH) | 46.2 |
| 6 (CH) | 67.6 |
| 7 (CH) | 132.3 |
| 8 (C) | 133 |
| 9 (C) | 76 |
| 10 (C) | 39 |
| 11 (CH2) | 75 |
| 12 (C) | 169.3 |
| 13 (CH3) | 26.4 |
| 14 (CH2) | 64.4 |
| 15 (CH3) | 21.1 |
| 6a (C) | 163.4 |
| 6b (C) | 134.7 |
| 6c (CH) | 130.6 |
| 6d (CH) | 123.5 |
| 6e (C) | 150.4 |
| 6f (CH) | 123.5 |
| 6g (CH) | 130.6 |
