Spektraris NMR
Clerodendrin G
Common Name: Clerodendrin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O10/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/h8-10,15,19-24,26,32H,7,11-14H2,1-6H3/t15?,19-,20-,21-,22+,23+,24+,26+,27+,28+,29-/m1/s1
InChIKey: InChIKey=MAODYKWBFYXWTR-CQZOQUCVSA-N
Formula: C29H40O10
Molecular Weight: 548.62302
Exact Mass: 548.262148
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) | 33 |
| 2 (CH) | 70.8 |
| 3 (CH) | 72.3 |
| 4 (C) | 62.3 |
| 5 (C) | 42.1 |
| 6 (CH) | 71.7 |
| 7 (CH) | 124.6 |
| 8 (C) | 139.2 |
| 9 (C) | 44.3 |
| 10 (CH) | 37.9 |
| 11 (CH) | 86 |
| 12 (CH2) | 33.2 |
| 13 (CH) | 45.7 |
| 14 (CH) | 102.1 |
| 15 (CH) | 146.5 |
| 16 (CH) | 109 |
| 17 (CH3) | 19.3 |
| 18 (CH2) | 43.4 |
| 19 (CH2) | 62.5 |
| 20 (CH3) | 19.9 |
| 3a (C) | 170.3 |
| 3b (CH) | 41.2 |
| 3c (CH2) | 26.8 |
| 3d (CH3) | 11.3 |
| 3ba (CH3) | 16.4 |
| 6a (C) | 170.9 |
| 6b (CH3) | 21 |
| 19a (C) | 172.7 |
| 19b (CH3) | 21.1 |
