Spektraris NMR
Caesalmin D
Common Name: Caesalmin D
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-ZWSLWUGUSA-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) | 69.29 |
| 2 (CH2) | 22.71 |
| 3 (CH2) | 32.84 |
| 4 (C) | 39.14 |
| 5 (C) | 79.42 |
| 6 (CH) | 74.63 |
| 7 (CH) | 76.4 |
| 8 (CH) | 44.9 |
| 9 (CH) | 34.43 |
| 10 (C) | 47.53 |
| 11 (CH2) | 23.29 |
| 12 (C) | 150.12 |
| 13 (C) | 123.55 |
| 14 (C) | 76.4 |
| 15 (CH) | 108.3 |
| 16 (CH) | 142.2 |
| 17 (CH3) | 31.11 |
| 18 (CH3) | 29.4 |
| 19 (CH3) | 25.48 |
| 20 (CH3) | 17.95 |
| 1a (C) | 169.88 |
| 1b (CH3) | 22.14 |
| 6a (C) | 171.28 |
| 6b (CH3) | 22.34 |
| 7a (C) | 172.2 |
| 7b (CH3) | 22.34 |
