Spektraris NMR
2-Deoxycucurbitacin D
Common Name: 2-Deoxycucurbitacin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,13-14,18-20,24,31,35-36H,10-12,15-16H2,1-8H3/b14-13+/t18-,19-,20+,24+,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=KMFVVUWIGLRRLZ-NTLQYXAJSA-N
Formula: C30H44O6
Molecular Weight: 500.6679
Exact Mass: 500.313789
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, N., Vasquez, Y., Hussein, A.A., Coley, P.D., Solis, P.N., Gupta, M.P. J Nat Prod (2003) 66, 1515-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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 (CH2) | 24.6 |
| 2 (CH2) | 38 |
| 3 (C) | 213.6 |
| 4 (C) | 50.9 |
| 5 (C) | 140.8 |
| 6 (CH) | 119.1 |
| 7 (CH2) | 24.6 |
| 8 (CH) | 42.4 |
| 9 (C) | 49 |
| 10 (CH) | 36 |
| 11 (C) | 213.1 |
| 12 (CH2) | 48.3 |
| 13 (C) | 51 |
| 14 (C) | 48.7 |
| 15 (CH2) | 45.5 |
| 16 (CH) | 71.5 |
| 17 (CH) | 57.5 |
| 18 (CH3) | 19.9 |
| 19 (CH3) | 19.6 |
| 20 (C) | 78.1 |
| 21 (CH3) | 23.9 |
| 22 (C) | 202.9 |
| 23 (CH) | 119.6 |
| 24 (CH) | 155.6 |
| 25 (C) | 71.2 |
| 26 (CH3) | 29.5 |
| 27 (CH3) | 29.2 |
| 28 (CH3) | 22.8 |
| 29 (CH3) | 28.5 |
| 30 (CH3) | 19 |
