Spektraris NMR
1-Acetyltagitinin A
Common Name: 1-Acetyltagitinin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O8/c1-10(2)18(23)28-15-8-20(6)16(26-13(5)22)9-21(25,29-20)11(3)7-14-17(15)12(4)19(24)27-14/h10-11,14-17,25H,4,7-9H2,1-3,5-6H3/t11-,14+,15+,16-,17-,20+,21+/m0/s1
InChIKey: InChIKey=MFYNTWZAYXDJQB-NLTAYGARSA-N
Formula: C21H30O8
Molecular Weight: 410.458916
Exact Mass: 410.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Chen, C.H. J Nat Prod (1998) 61, 827-8
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 (CH) | 79.1 |
| 2 (CH2) | 44.5 |
| 3 (C) | 106.4 |
| 4 (CH) | 43.7 |
| 5 (CH2) | 37.7 |
| 6 (CH) | 81 |
| 7 (CH) | 47.8 |
| 8 (CH) | 69.1 |
| 9 (CH2) | 35.4 |
| 10 (C) | 80.9 |
| 11 (C) | 136.8 |
| 12 (C) | 169.2 |
| 13 (CH2) | 121.7 |
| 14 (CH3) | 25.4 |
| 15 (CH3) | 19.2 |
| 1a (C) | 170.1 |
| 1b (CH3) | 20.9 |
| 8a (C) | 176.2 |
| 8b (CH) | 34 |
| 8c (CH3) | 18.4 |
| 8d (CH3) | 18.7 |
