Spektraris NMR
Sandrasin B
Common Name: Sandrasin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O8/c1-12-7-15(23)19(11-22)17(25,10-21)4-2-5-20(19,26)18(12)8-14(28-16(18)24)13-3-6-27-9-13/h3,6,9,12,14,21-22,25-26H,2,4-5,7-8,10-11H2,1H3/t12-,14-,17+,18+,19+,20-/m1/s1
InChIKey: InChIKey=RXDUFGKJOZHMHQ-AYSXHUKSSA-N
Formula: C20H26O8
Molecular Weight: 394.416417
Exact Mass: 394.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Topcu, G., Eris, C., Che, C.T., Ulubelen, A. Phytochemistry (1996) 42, 775-8
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 (CH2) | 25.4 |
| 2 (CH2) | 14.9 |
| 3 (CH2) | 21 |
| 4 (C) | 74.8 |
| 5 (C) | 51.9 |
| 6 (C) | 197 |
| 7 (CH2) | 37.7 |
| 8 (CH) | 31.2 |
| 9 (C) | 53.8 |
| 10 (C) | 84 |
| 11 (CH2) | 33 |
| 12 (CH) | 71.2 |
| 13 (C) | 119.2 |
| 14 (CH) | 107.3 |
| 15 (CH) | 143.2 |
| 16 (CH) | 139.4 |
| 17 (CH3) | 15.3 |
| 18 (CH2) | 69.8 |
| 19 (CH2) | 59.2 |
| 20 (C) | 174.2 |
