Spektraris NMR
Crassumolide E
Common Name: Crassumolide E
Synonyms: Crassumolide E
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-15-7-5-8-16(2)13-19(22)18(17(3)14-21)10-12-20(4,24-23)11-6-9-15/h6-7,11,13,18-19,21-23H,3,5,8-10,12,14H2,1-2,4H3/b11-6+,15-7+,16-13+/t18-,19-,20-/m0/s1
InChIKey: InChIKey=HGPWGHBBMMTDTA-WWWHTDTNSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chao, C.H., Wen, Z.H., Wu, Y.C., Yeh, H.C., Sheu, J.H. J Nat Prod (2008) 71, 1819-24
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 50.2 |
| 2 (CH) | 71.4 |
| 3 (CH) | 127.3 |
| 4 (C) | 136.7 |
| 5 (CH2) | 39.4 |
| 6 (CH2) | 24.2 |
| 7 (CH) | 122.7 |
| 8 (C) | 134.6 |
| 9 (CH2) | 41.4 |
| 10 (CH) | 129.2 |
| 11 (CH) | 133.6 |
| 12 (C) | 85.2 |
| 13 (CH2) | 39.7 |
| 14 (CH2) | 21.8 |
| 15 (C) | 147.7 |
| 16 (CH2) | 66.3 |
| 17 (CH2) | 115.6 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 23 |
