Spektraris NMR
Cucurbita-5,24-diene-3,7,23-trione
Common Name: Cucurbita-5,24-diene-3,7,23-trione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O3/c1-18(2)15-20(31)16-19(3)21-11-12-30(8)26-24(32)17-23-22(9-10-25(33)27(23,4)5)28(26,6)13-14-29(21,30)7/h15,17,19,21-22,26H,9-14,16H2,1-8H3/t19-,21-,22-,26-,28+,29-,30+/m1/s1
InChIKey: InChIKey=OXOHQADSFHTVJK-DTAFNKSRSA-N
Formula: C30H44O3
Molecular Weight: 452.669685
Exact Mass: 452.329045
NMR Solvent: C5D5N
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 (2008) 71, 1327-30
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) | 23.5 |
| 2 (CH2) | 38.1 |
| 3 (C) | 211.5 |
| 4 (C) | 51.4 |
| 5 (C) | 167.7 |
| 6 (CH) | 125.4 |
| 7 (C) | 202.6 |
| 8 (CH) | 59.1 |
| 9 (C) | 36.7 |
| 10 (CH) | 41.2 |
| 11 (CH2) | 31.2 |
| 12 (CH2) | 29.7 |
| 13 (C) | 48.6 |
| 14 (C) | 45.9 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 50 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 27.2 |
| 20 (CH) | 33.2 |
| 21 (CH3) | 19.8 |
| 22 (CH2) | 51.6 |
| 23 (C) | 201.2 |
| 24 (CH) | 124.2 |
| 25 (C) | 155 |
| 26 (CH3) | 27.7 |
| 27 (CH3) | 20.7 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 23.1 |
| 30 (CH3) | 18 |
