Spektraris NMR
Tinosagittones B
Common Name: Tinosagittones B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O6/c1-19(8-4-13-7-11-26-12-13)14(17(22)25-3)5-9-20(2)16(19)15-6-10-21(20,24)18(23)27-15/h4,6-8,10-12,14-16,24H,5,9H2,1-3H3/b8-4+/t14-,15-,16+,19-,20-,21-/m1/s1
InChIKey: InChIKey=WGJYPUWQDZUODK-BYCBRBSFSA-N
Formula: C21H24O6
Molecular Weight: 372.412461
Exact Mass: 372.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, L.M., Li, R.Q., Liu, W.H. Helv Chim Acta (2008) 91, 978-82
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 74.5 |
| 2 (CH) | 129.6 |
| 3 (CH) | 136.1 |
| 4 (C) | 80.8 |
| 5 (C) | 37.6 |
| 6 (CH2) | 24.8 |
| 7 (CH2) | 19.2 |
| 8 (CH) | 47.5 |
| 9 (C) | 42.3 |
| 10 (CH) | 54.7 |
| 11 (CH) | 137.9 |
| 12 (CH) | 118.9 |
| 13 (C) | 123.8 |
| 14 (CH) | 107.3 |
| 15 (CH) | 143.6 |
| 16 (CH) | 140.3 |
| 17 (C) | 174.1 |
| 18 (C) | 175.8 |
| 19 (CH3) | 25.6 |
| 20 (CH3) | 15.3 |
| 17a (CH3) | 51.4 |
