Spektraris NMR
Malacitanolide
Common Name: Malacitanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O8/c1-9(12(23)8-22)18(25)27-13-6-20(3)14(24)5-4-11(7-21)16(20)17-15(13)10(2)19(26)28-17/h7,11-17,22-24H,1-2,4-6,8H2,3H3/t11-,12+,13+,14-,15-,16-,17+,20+/m1/s1
InChIKey: InChIKey=OZJAAHIGUMFSHY-MYBIUHGVSA-N
Formula: C20H26O8
Molecular Weight: 394.416417
Exact Mass: 394.162768
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Barrero, A.F., Oltra, J.E., Morales, V., Alvarez, M., Rodriguez-Garcia, I. J Nat Prod (1997) 60, 1034-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 75.9 |
| 2 (CH2) | 26.7 |
| 3 (CH2) | 21.8 |
| 4 (CH) | 44.7 |
| 5 (CH) | 47.2 |
| 6 (CH) | 76 |
| 7 (CH) | 52.3 |
| 8 (CH) | 69.5 |
| 9 (CH2) | 43.4 |
| 10 (C) | 41 |
| 11 (C) | 137.5 |
| 12 (C) | 169.3 |
| 13 (CH2) | 118.7 |
| 14 (CH3) | 13.4 |
| 15 (CH) | 203.7 |
| 8a (C) | 165.2 |
| 8b (C) | 141.9 |
| 8c (CH) | 70.2 |
| 8d (CH2) | 65.4 |
| 8ba (CH2) | 125.3 |
