Spektraris NMR
1-Deacetylcaesalmin C
Common Name: 1-Deacetylcaesalmin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O7/c1-12-15-8-10-29-17(15)11-16-19(12)20(30-13(2)25)21(31-14(3)26)24(28)22(4,5)9-7-18(27)23(16,24)6/h8,10,16,18-21,27-28H,1,7,9,11H2,2-6H3/t16-,18-,19-,20+,21-,23-,24+/m0/s1
InChIKey: InChIKey=NYVWCBLDDFGOIT-FRZBIBBKSA-N
Formula: C24H32O7
Molecular Weight: 432.5076
Exact Mass: 432.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kalauni, S.K., Awale, S., Tezuka, Y., Banskota, A.H., Linn, T.Z., Kadota, S. Chem Pharm Bull (2005) 53, 1300-4
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) | 72.6 |
| 2 (CH2) | 25.4 |
| 3 (CH2) | 32 |
| 4 (C) | 38.6 |
| 5 (C) | 80.5 |
| 6 (CH) | 75.7 |
| 7 (CH) | 75.7 |
| 8 (CH) | 41.3 |
| 9 (CH) | 37.7 |
| 10 (C) | 44.4 |
| 11 (CH2) | 23.2 |
| 12 (C) | 151.3 |
| 13 (C) | 119.6 |
| 14 (C) | 139 |
| 15 (CH) | 106.6 |
| 16 (CH) | 141.8 |
| 17 (CH2) | 105.2 |
| 18 (CH3) | 30.5 |
| 19 (CH3) | 24.8 |
| 20 (CH3) | 16.9 |
| 6a (C) | 171 |
| 6b (CH3) | 21.4 |
| 7a (C) | 170.5 |
| 7b (CH3) | 21.8 |
