Spektraris NMR
3b-Acetoxy-6b,12S-0-diacetylteucroxylepin
Common Name: 3b-Acetoxy-6b,12S-0-diacetylteucroxylepin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O9/c1-14-9-23(35-17(4)29)25-11-21(30)24(14,10-19(33-15(2)27)18-7-8-31-12-18)20(25)5-6-22(34-16(3)28)26(25)13-32-26/h7-8,12,14,19-20,22-23H,5-6,9-11,13H2,1-4H3/t14-,19-,20-,22+,23-,24-,25+,26-/m1/s1
InChIKey: InChIKey=QPFUJARJNOVBGI-IDLCMKEKSA-N
Formula: C26H32O9
Molecular Weight: 488.527882
Exact Mass: 488.204633
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) | 22.5 |
| 2 (CH2) | 29.1 |
| 3 (CH) | 68.2 |
| 4 (C) | 59.4 |
| 5 (C) | 40.6 |
| 6 (CH) | 69.9 |
| 7 (CH2) | 32.3 |
| 8 (CH) | 30.3 |
| 9 (C) | 49 |
| 10 (CH) | 37.5 |
| 11 (CH2) | 32.9 |
| 12 (CH) | 64.3 |
| 13 (C) | 125.5 |
| 14 (CH) | 108.6 |
| 15 (CH) | 143.6 |
| 16 (CH) | 139.8 |
| 17 (CH3) | 15.9 |
| 18 (CH2) | 48.8 |
| 19 (CH2) | 70.6 |
| 20 (C) | 170.7 |
| 3a (C) | 169.7 |
| 3b (CH3) | 21.1 |
| 6a (C) | 169.5 |
| 6b (CH3) | 21.3 |
| 12a (C) | 169.5 |
| 12b (CH3) | 20.9 |
