Spektraris NMR
Crotoxide A
Common Name: Crotoxide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-9-5-6-12-13(11(3)8-22-12)15-14(9)20-16(21)10(2)7-19(20,24-20)17-18(15,4)23-17/h8-10,14-17,21H,5-7H2,1-4H3/t9-,10+,14?,15?,16+,17+,18+,19-,20-/m1/s1
InChIKey: InChIKey=JWYSIVSPWZLYSL-LURDMTLLSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
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 (CH) | 75 |
| 2 (CH) | 33.8 |
| 3 (CH2) | 33.6 |
| 4 (C) | 63.7 |
| 5 (CH) | 55.8 |
| 6 (C) | 64.2 |
| 7 (CH) | 44.8 |
| 8 (CH) | 40.3 |
| 9 (C) | 72.3 |
| 10 (CH) | 29.5 |
| 11 (CH2) | 32.7 |
| 12 (CH2) | 22.7 |
| 13 (C) | 150.2 |
| 14 (C) | 121.3 |
| 15 (C) | 118.1 |
| 16 (CH) | 136.6 |
| 17 (CH3) | 8.9 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 12 |
| 20 (CH3) | 20.4 |
