Spektraris NMR
Clerodendrin E
Common Name: Clerodendrin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O12/c1-15-10-23(39-17(3)32)29(13-37-16(2)31)21(28(15,7)22-11-19-8-9-36-25(19)40-22)12-20(34)24(30(29)14-38-30)41-26(35)27(5,6)42-18(4)33/h8-10,19-25,34H,11-14H2,1-7H3/t19-,20-,21-,22+,23+,24+,25+,28+,29+,30-/m1/s1
InChIKey: InChIKey=ZUSMZSMVDGGWAL-OMCXBQDZSA-N
Formula: C30H40O12
Molecular Weight: 592.632566
Exact Mass: 592.251977
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) | 31.4 |
| 2 (CH) | 70.6 |
| 3 (CH) | 73.3 |
| 4 (C) | 61.9 |
| 5 (C) | 43.9 |
| 6 (CH) | 71.3 |
| 7 (CH) | 124.6 |
| 8 (C) | 139.8 |
| 9 (C) | 42 |
| 10 (CH) | 37.7 |
| 11 (CH) | 85.6 |
| 12 (CH2) | 33 |
| 13 (CH) | 45.3 |
| 14 (CH) | 102.1 |
| 15 (CH) | 147 |
| 16 (CH) | 108.9 |
| 17 (CH3) | 19.1 |
| 18 (CH2) | 43.6 |
| 19 (CH2) | 62.6 |
| 20 (CH3) | 18.9 |
| 3a (C) | 170.1 |
| 3b (C) | 78.6 |
| 3c (CH3) | 23.5 |
| 3ba (C) | 170.7 |
| 3bb (CH3) | 20.7 |
| 3bc (CH3) | 24.6 |
| 6a (C) | 171.2 |
| 6b (CH3) | 20.8 |
| 19a (C) | 171.2 |
| 19b (CH3) | 20.7 |
