Spektraris NMR
3B,19-0-Diacetylteucryemin
Common Name: 3B,19-0-Diacetylteucryemin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O10/c1-14-9-22(35-17(4)29)25(12-32-15(2)27)20(5-6-21(34-16(3)28)26(25)13-33-26)24(14)10-19(36-23(24)30)18-7-8-31-11-18/h7-8,11,14,19-22H,5-6,9-10,12-13H2,1-4H3/t14-,19+,20-,21+,22-,24-,25+,26-/m1/s1
InChIKey: InChIKey=RCVVNRBNRKRZGL-CBWGAXTFSA-N
Formula: C26H32O10
Molecular Weight: 504.527287
Exact Mass: 504.199547
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sattar, E.A., Mossa, J.S., Muhammad, I., Elferaly, F.S. Phytochemistry (1995) 40, 1737-41
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) | 21.5 |
| 2 (CH2) | 30.9 |
| 3 (CH) | 68.6 |
| 4 (C) | 62 |
| 5 (C) | 45.2 |
| 6 (CH) | 69.9 |
| 7 (CH2) | 29.5 |
| 8 (CH) | 33 |
| 9 (C) | 51.5 |
| 10 (CH) | 46 |
| 11 (CH2) | 44.7 |
| 12 (CH) | 71.7 |
| 13 (C) | 125 |
| 14 (CH) | 107.9 |
| 15 (CH) | 144.2 |
| 16 (CH) | 139.5 |
| 17 (CH3) | 16.1 |
| 18 (CH2) | 46.3 |
| 19 (CH2) | 62.8 |
| 20 (C) | 176.4 |
| 3a (C) | 170.7 |
| 3b (CH3) | 169.2 |
| 6a (C) | 168.8 |
| 6b (CH3) | 21.4 |
| 19a (C) | 20.9 |
| 19b (CH3) | 20.9 |
