Spektraris NMR
Micordilin
Common Name: Micordilin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O7/c1-7-10-4-11-8(2)16-23-13(15(20)24-16)17(11,6-21-9(3)18)5-12(10)22-14(7)19/h10-13,15-16,20H,1-2,4-6H2,3H3/t10-,11+,12-,13-,15-,16+,17+/m1/s1
InChIKey: InChIKey=KIMFLFYOUFXUAC-XLOUWHCTSA-N
Formula: C17H20O7
Molecular Weight: 336.33716
Exact Mass: 336.120903
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Herz, W., Subramaniam, P.S., Murari, R., Dennis, N., Blount, J.F. J Org Chem (1977) 42, 1720
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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) | 82 |
| 2 (CH) | 93.3 |
| 3 (CH) | 104.2 |
| 4 (C) | 144.3 |
| 5 (CH) | 35.7 |
| 6 (CH2) | 24 |
| 7 (CH) | 35.4 |
| 8 (CH) | 75.3 |
| 9 (CH2) | 27.1 |
| 10 (C) | 38.2 |
| 11 (C) | 141.2 |
| 12 (C) | 169.2 |
| 13 (CH2) | 108.2 |
| 14 (CH2) | 61.9 |
| 15 (CH2) | 120.9 |
| 14a (C) | 169.9 |
| 14b (CH3) | 20.4 |
