Spektraris NMR
Lobatin D
Common Name: Lobatin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O8/c1-10(2)19(24)29-17-16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(6,26)18(17)27-13(5)22/h7,10,14,16-18,26H,4,8-9H2,1-3,5-6H3/b11-7-/t14-,16+,17+,18-,21+/m1/s1
InChIKey: InChIKey=NBRAQNXWMLYAFU-DKBBEFOWSA-N
Formula: C21H28O8
Molecular Weight: 408.443034
Exact Mass: 408.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Passreiter, C.M., Sandoval-Ramirez, J., Wright, C.W. J Nat Prod (1999) 62, 1093-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (C) | 210.7 |
| 2 (CH2) | 36.1 |
| 3 (CH) | 121.4 |
| 4 (C) | 136.7 |
| 5 (CH2) | 42.9 |
| 6 (CH) | 72.5 |
| 7 (CH) | 41.7 |
| 8 (CH) | 76.5 |
| 9 (CH) | 76.5 |
| 10 (C) | 80.5 |
| 11 (C) | 134.4 |
| 12 (C) | 168 |
| 13 (CH2) | 124.4 |
| 14 (CH3) | 25.4 |
| 15 (CH3) | 22.2 |
| 8a (C) | 175.1 |
| 8b (CH) | 34.4 |
| 8c (CH3) | 18.5 |
| 8ba (CH3) | 18.8 |
| 9a (C) | 170.9 |
| 9b (CH3) | 20.5 |
