Spektraris NMR
cucurbitadienol
Common Name: cucurbitadienol
Synonyms: cucurbitadienol
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22-,24-,25-,26+,28+,29-,30+/m1/s1
InChIKey: InChIKey=WSPRAEIJBDUDRX-FBJXRMALSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tan, J.W., Dong, Z.J., Liu, J.K. Helv Chim Acta (2000) 83, 3191-7
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) | 21.1 |
| 2 (CH2) | 28.9 |
| 3 (CH) | 76.6 |
| 4 (C) | 41.4 |
| 5 (C) | 141.2 |
| 6 (CH) | 121.4 |
| 7 (CH2) | 24.3 |
| 8 (CH) | 43.6 |
| 9 (C) | 34.4 |
| 10 (CH) | 37.8 |
| 11 (CH2) | 32.3 |
| 12 (CH2) | 34.7 |
| 13 (C) | 46.2 |
| 14 (C) | 49.1 |
| 15 (CH2) | 30.4 |
| 16 (CH2) | 30.5 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 28 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 36.4 |
| 23 (CH2) | 24.8 |
| 24 (CH) | 125.2 |
| 25 (C) | 130.9 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 27.2 |
| 29 (CH3) | 25.4 |
| 30 (CH3) | 17.8 |
