Spektraris NMR
Clerodendrin F
Common Name: Clerodendrin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H44O14/c1-16-11-26(44-20(5)36)32(14-41-18(3)34)24(30(16,7)25-12-22-9-10-40-28(22)45-25)13-23(38)27(33(32)15-42-33)46-29(39)31(8,47-21(6)37)17(2)43-19(4)35/h9-11,17,22-28,38H,12-15H2,1-8H3/t17?,22-,23-,24-,25+,26+,27+,28+,30+,31?,32+,33-/m1/s1
InChIKey: InChIKey=KKJMIDSUDJXHOU-KEWTWZIHSA-N
Formula: C33H44O14
Molecular Weight: 664.695347
Exact Mass: 664.273106
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) | 31.6 |
| 2 (CH) | 71.1 |
| 3 (CH) | 74.5 |
| 4 (C) | 62.1 |
| 5 (C) | 44.1 |
| 6 (CH) | 70.8 |
| 7 (CH) | 124.6 |
| 8 (C) | 139.6 |
| 9 (C) | 42 |
| 10 (CH) | 37.7 |
| 11 (CH) | 85.8 |
| 12 (CH2) | 33 |
| 13 (CH) | 45.5 |
| 14 (CH) | 102.3 |
| 15 (CH) | 146.9 |
| 16 (CH) | 109.1 |
| 17 (CH3) | 19.2 |
| 18 (CH2) | 43.4 |
| 19 (CH2) | 62.5 |
| 20 (CH3) | 19.5 |
| 3a (C) | 170.2 |
| 3b (C) | 82.3 |
| 3c (CH) | 72.2 |
| 3d (CH3) | 14.5 |
| 3ba (C) | 168.8 |
| 3bb (CH3) | 20.8 |
| 3bc (CH3) | 17.7 |
| 3ca (C) | 170.6 |
| 3cb (CH3) | 20.8 |
| 6a (C) | 171.3 |
| 6b (CH3) | 21.1 |
| 19a (C) | 172 |
| 19b (CH3) | 20.8 |
