Spektraris NMR
(23E)-Cucurbita-5,23,25-triene-3,7-dione
Common Name: (23E)-Cucurbita-5,23,25-triene-3,7-dione
Synonyms: (23E)-Cucurbita-5,23,25-triene-3,7-dione
CAS Registry Number:
InChI: InChI=1S/C30H44O2/c1-19(2)10-9-11-20(3)21-14-15-30(8)26-24(31)18-23-22(12-13-25(32)27(23,4)5)28(26,6)16-17-29(21,30)7/h9-10,18,20-22,26H,1,11-17H2,2-8H3/b10-9+/t20-,21-,22-,26-,28+,29-,30+/m1/s1
InChIKey: InChIKey=OTTWFQZLWJURAW-XUFLONFKSA-N
Formula: C30H44O2
Molecular Weight: 436.67028
Exact Mass: 436.334131
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) | 23.6 |
| 2 (CH2) | 38.1 |
| 3 (C) | 211.6 |
| 4 (C) | 51.4 |
| 5 (C) | 167.6 |
| 6 (CH) | 125.4 |
| 7 (C) | 202.3 |
| 8 (CH) | 59.2 |
| 9 (C) | 36.8 |
| 10 (CH) | 41.2 |
| 11 (CH2) | 31.3 |
| 12 (CH2) | 29.7 |
| 13 (C) | 48.5 |
| 14 (C) | 45.8 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 49.6 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 27.2 |
| 20 (CH) | 36.6 |
| 21 (CH3) | 18.9 |
| 22 (CH2) | 39.6 |
| 23 (CH) | 129 |
| 24 (CH) | 134.3 |
| 25 (C) | 142.1 |
| 26 (CH3) | 18.7 |
| 27 (CH2) | 114.2 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 23 |
| 30 (CH3) | 18 |
