Spektraris NMR
2-O-Acetylteumassilenin D
Common Name: 2-O-Acetylteumassilenin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O10/c1-14-7-22(35-17(4)29)26(13-32-15(2)27)21(8-19(34-16(3)28)9-24(26)12-33-24)25(14)10-20(36-23(25)30)18-5-6-31-11-18/h5-6,11,14,19-22H,7-10,12-13H2,1-4H3/t14-,19+,20-,21-,22+,24+,25-,26+/m1/s1
InChIKey: InChIKey=BVKLUYUFIJHFAO-KRISTNOWSA-N
Formula: C26H32O10
Molecular Weight: 504.527287
Exact Mass: 504.199547
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fontana, G., Paternostro, M.P., Savona, G., Rodriguez, B., de la Torre, M.C. J Nat Prod (1998) 61, 1242-7
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) | 27.1 |
| 2 (CH) | 69.5 |
| 3 (CH2) | 36.6 |
| 4 (C) | 61.3 |
| 5 (C) | 45.1 |
| 6 (CH) | 71.8 |
| 7 (CH2) | 32.7 |
| 8 (CH) | 40.7 |
| 9 (C) | 50.6 |
| 10 (CH) | 44.7 |
| 11 (CH2) | 43 |
| 12 (CH) | 71.5 |
| 13 (C) | 124.7 |
| 14 (CH) | 107.9 |
| 15 (CH) | 144.5 |
| 16 (CH) | 139.6 |
| 17 (CH3) | 16.6 |
| 18 (CH2) | 48.5 |
| 19 (CH2) | 61.5 |
| 20 (C) | 175.7 |
| 2a (C) | 170.4 |
| 2b (CH3) | 21.2 |
| 6a (C) | 170.1 |
| 6b (CH3) | 21.2 |
| 19a (C) | 169.9 |
| 19b (CH3) | 21.1 |
