Spektraris NMR
7-Oxo-10a-cucurbitadienol
Common Name: 7-Oxo-10a-cucurbitadienol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/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/h10,18,20-22,25-26,32H,9,11-17H2,1-8H3/t20-,21-,22-,25+,26-,28+,29-,30+/m1/s1
InChIKey: InChIKey=WPHOBDITIAIXKJ-MVAYMFADSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Yasukawa, K., Kimura, Y., Takido, M., Kokke, W., Tamura, T. Phytochemistry (1994) 36, 153-7
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) | 20.9 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 76.7 |
| 4 (C) | 42.8 |
| 5 (C) | 168.8 |
| 6 (CH) | 126 |
| 7 (C) | 202.9 |
| 8 (CH) | 59.9 |
| 9 (C) | 35.9 |
| 10 (CH) | 40.3 |
| 11 (CH2) | 31.4 |
| 12 (CH2) | 34.6 |
| 13 (C) | 45.7 |
| 14 (C) | 48.5 |
| 15 (CH2) | 29.9 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 49.9 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 27.9 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 36.4 |
| 23 (CH2) | 24.9 |
| 24 (CH) | 125.1 |
| 25 (C) | 131.1 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 24.8 |
| 30 (CH3) | 18.1 |
