Spektraris NMR
Crotofolin E
Common Name: Crotofolin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-8-5-6-20(23)14(10(3)18(22)25-20)15-12(8)13-11(7-9(2)16(13)21)17-19(15,4)24-17/h9,12,15,17,23H,1,5-7H2,2-4H3/t9-,12?,15?,17+,19-,20-/m0/s1
InChIKey: InChIKey=GALZHQYJPOPISQ-NVTKOZIOSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jogia, M.K., Andersen, R.J., Parkanyi, L., Clardy, J., Dublin, H.T., Sinclair, A.R.E. J Org Chem (1989) 54, 1654-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Crotofolanes; 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 (C) | 206.6 |
| 2 (CH) | 52.2 |
| 3 (CH2) | 41.2 |
| 4 (C) | 165.8 |
| 5 (CH) | 53.7 |
| 6 (C) | 59.2 |
| 7 (CH) | 39.4 |
| 8 (CH) | 40 |
| 9 (C) | 146.1 |
| 10 (C) | 128.4 |
| 11 (CH2) | 35.7 |
| 12 (CH2) | 34.3 |
| 13 (C) | 107.9 |
| 14 (C) | 159.1 |
| 15 (C) | 143.6 |
| 16 (C) | 169.7 |
| 17 (CH3) | 19.6 |
| 18 (CH2) | 111.7 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 9.5 |
