Spektraris NMR
(23E)-5‚,19-epoxycucurbita-6,23-diene-3‚,25-diol
Common Name: (23E)-5‚,19-epoxycucurbita-6,23-diene-3‚,25-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)22-13-16-30-23(10-11-24(31)26(30,4)5)29(22,19-33-30)18-17-27(21,28)6/h8,13-14,16,20-24,31-32H,9-12,15,17-19H2,1-7H3/b14-8+/t20-,21-,22+,23+,24+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=GDWGKJJMMBZZDX-ITPHIMIFSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, C.I., Chen, C.R., Liao, Y.W., Cheng, H.L., Chen, Y.C., Chou, C.H. J Nat Prod (2006) 69, 1168-71
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) | 17.6 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 76.1 |
| 4 (C) | 37.2 |
| 5 (C) | 87.5 |
| 6 (CH) | 131.9 |
| 7 (CH) | 131.5 |
| 8 (CH) | 52 |
| 9 (C) | 45.4 |
| 10 (CH) | 38.8 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 30.8 |
| 13 (C) | 45.4 |
| 14 (C) | 48.8 |
| 15 (CH2) | 33.1 |
| 16 (CH2) | 28 |
| 17 (CH) | 50 |
| 18 (CH3) | 14.9 |
| 19 (CH2) | 79.8 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 39.1 |
| 23 (CH) | 125.1 |
| 24 (CH) | 139.6 |
| 25 (C) | 71 |
| 26 (CH3) | 29.8 |
| 27 (CH3) | 29.9 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 20.5 |
| 30 (CH3) | 20 |
