Spektraris NMR
16-Deoxycucurbitacin B
Common Name: 16-Deoxycucurbitacin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O7/c1-18(33)39-27(2,3)14-13-24(35)32(9,38)23-12-15-29(6)22-11-10-19-20(16-21(34)26(37)28(19,4)5)31(22,8)25(36)17-30(23,29)7/h10,13-14,20-23,34,38H,11-12,15-17H2,1-9H3/b14-13+/t20-,21+,22+,23+,29+,30-,31+,32-/m1/s1
InChIKey: InChIKey=BXYMOPHDFDLMEA-LTFRKHHZSA-N
Formula: C32H46O7
Molecular Weight: 542.704658
Exact Mass: 542.324354
NMR Solvent: CD2Cl2
MHz:
Calibration:
NMR references: 13C - Clericuzio, M., Tabasso, S., Bianco, M.A., Pratesi, G., Beretta, G., Tinelli, S., Zunino, F., Vidari, G. J Nat Prod (2006) 69, 1796-9
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) | 36.8 |
| 2 (CH) | 72.4 |
| 3 (C) | 213.3 |
| 4 (C) | 51.1 |
| 5 (C) | 141 |
| 6 (CH) | 121.4 |
| 7 (CH2) | 24.5 |
| 8 (CH) | 48.9 |
| 9 (C) | 48.9 |
| 10 (CH) | 34.5 |
| 11 (C) | 214 |
| 12 (CH2) | 49.6 |
| 13 (C) | 50.9 |
| 14 (C) | 54.7 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 21.6 |
| 17 (CH) | 43.2 |
| 18 (CH3) | 18.7 |
| 19 (CH3) | 20.4 |
| 20 (C) | 79.5 |
| 21 (CH3) | 24.6 |
| 22 (C) | 202.5 |
| 23 (CH) | 119.7 |
| 24 (CH) | 154.1 |
| 25 (C) | 79.7 |
| 26 (CH3) | 27.1 |
| 27 (CH3) | 26.7 |
| 28 (CH3) | 30 |
| 29 (CH3) | 21.8 |
| 30 (CH3) | 19.6 |
| 25a (C) | 170.4 |
| 25b (CH3) | 23.4 |
