Spektraris NMR
Kuguacin C
Common Name: Kuguacin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O4/c1-16(13-17(2)28)18-9-10-25(6)22-19(29)14-27-20(7-8-21(30)23(27,3)4)26(22,15-31-27)12-11-24(18,25)5/h16,18,20-22,30H,7-15H2,1-6H3/t16-,18-,20+,21+,22+,24-,25+,26-,27-/m1/s1
InChIKey: InChIKey=FGMDCYOFHYPQLK-BDLUGEFISA-N
Formula: C27H42O4
Molecular Weight: 430.621001
Exact Mass: 430.30831
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, J., Tian, R., Qiu, M., Lu, L., Zheng, Y., Zhang, Z. Phytochemistry (2008) 69, 1043
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) | 18.5 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 76.4 |
| 4 (C) | 38.5 |
| 5 (C) | 89.1 |
| 6 (CH2) | 50.9 |
| 7 (C) | 212.8 |
| 8 (CH) | 63 |
| 9 (C) | 47 |
| 10 (CH) | 41 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 30.7 |
| 13 (C) | 46.1 |
| 14 (C) | 49 |
| 15 (CH2) | 34.7 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 49.7 |
| 18 (CH3) | 15.5 |
| 19 (CH2) | 79.2 |
| 20 (CH) | 32.8 |
| 21 (CH3) | 19.9 |
| 22 (CH2) | 50.8 |
| 23 (C) | 208.2 |
| 24 (CH3) | 30.5 |
| 28 (CH3) | 26.2 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 21.5 |
