Spektraris NMR
7-Oxo-10a-cucurbitadienol acetate
Common Name: 7-Oxo-10a-cucurbitadienol acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O3/c1-20(2)11-10-12-21(3)23-15-16-32(9)28-26(34)19-25-24(30(28,7)17-18-31(23,32)8)13-14-27(29(25,5)6)35-22(4)33/h11,19,21,23-24,27-28H,10,12-18H2,1-9H3/t21-,23-,24-,27+,28-,30+,31-,32+/m1/s1
InChIKey: InChIKey=CNBPPYXRRNRCSM-OXYNFFGTSA-N
Formula: C32H50O3
Molecular Weight: 482.738801
Exact Mass: 482.375995
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) | 21.5 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 78.4 |
| 4 (C) | 41.3 |
| 5 (C) | 167.9 |
| 6 (CH) | 125.4 |
| 7 (C) | 203 |
| 8 (CH) | 59.9 |
| 9 (C) | 36 |
| 10 (CH) | 40.2 |
| 11 (CH2) | 31.3 |
| 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) | 15.4 |
| 19 (CH3) | 27.8 |
| 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) | 17.7 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 24.5 |
| 30 (CH3) | 18.1 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.1 |
