Spektraris NMR
Clerodendrin D
Common Name: Clerodendrin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3/t15?,16-,19-,20-,21-,22+,23+,24+,26+,27+,28+,29-/m1/s1
InChIKey: InChIKey=LHFSTOLZQVESJD-DBNYLVSFSA-N
Formula: C29H42O10
Molecular Weight: 550.638902
Exact Mass: 550.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kawai, K., Amano, T., Nishida, R., Kuwahara, Y., Fukami, H. Phytochemistry (1998) 49, 1975-80
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) | 30.5 |
| 2 (CH) | 71.7 |
| 3 (CH) | 72.3 |
| 4 (C) | 62.8 |
| 5 (C) | 46.1 |
| 6 (CH) | 71.4 |
| 7 (CH2) | 33.4 |
| 8 (CH) | 36 |
| 9 (C) | 40.1 |
| 10 (CH) | 43.9 |
| 11 (CH) | 84.2 |
| 12 (CH2) | 31.6 |
| 13 (CH) | 45.7 |
| 14 (CH) | 101.8 |
| 15 (CH) | 147.1 |
| 16 (CH) | 107.8 |
| 17 (CH3) | 16.4 |
| 18 (CH2) | 42.5 |
| 19 (CH2) | 61.5 |
| 20 (CH3) | 13.9 |
| 3a (C) | 175.7 |
| 3b (CH) | 41.2 |
| 3c (CH2) | 26.8 |
| 3d (CH3) | 11.3 |
| 3ba (CH3) | 16.5 |
| 6a (C) | 171 |
| 6b (CH3) | 21 |
| 19a (C) | 170.1 |
| 19b (CH3) | 21 |
