Spektraris NMR
Caesalmin E
Common Name: Caesalmin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-13(27)33-19-8-10-23(4,5)26(31)22(35-15(3)29)21(34-14(2)28)20-17(24(19,26)6)12-18-16(9-11-32-18)25(20,7)30/h9,11,17,19-22,30-31H,8,10,12H2,1-7H3/t17-,19-,20-,21+,22-,24-,25+,26+/m0/s1
InChIKey: InChIKey=ZMDJQZBKCANBDV-GZEDFXFRSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiang, R.W., Ma, S.C., But, P.P., Mak, T.C. J Nat Prod (2001) 64, 1266-72
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 74.33 |
| 2 (CH2) | 22.58 |
| 3 (CH2) | 32.75 |
| 4 (C) | 39.04 |
| 5 (C) | 79.7 |
| 6 (CH) | 75.59 |
| 7 (CH) | 76.29 |
| 8 (CH) | 45.12 |
| 9 (CH) | 36.31 |
| 10 (C) | 48.16 |
| 11 (CH2) | 23.19 |
| 12 (C) | 148.07 |
| 13 (C) | 125.99 |
| 14 (C) | 73.09 |
| 15 (CH) | 107.94 |
| 16 (CH) | 142.55 |
| 17 (CH3) | 31.11 |
| 18 (CH3) | 25.5 |
| 19 (CH3) | 25.44 |
| 20 (CH3) | 17.64 |
| 1a (C) | 169.61 |
| 1b (CH3) | 21.95 |
| 6a (C) | 171.06 |
| 6b (CH3) | 22.01 |
| 7a (C) | 171.25 |
| 7b (CH3) | 21.16 |
