Spektraris NMR
kudzusapogenol A
Common Name: kudzusapogenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-25(16-31)15-19-18-7-8-21-27(3)11-10-22(33)28(4,17-32)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)24(35)23(25)34/h7,19-24,31-35H,8-17H2,1-6H3/t19-,20+,21+,22-,23-,24+,25+,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=TVXOVTFPCNWYNK-WBTRRIRNSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kinjo J., Miyamoto I., Miurakami K., Kida K. T. T., Yamasaki M., Nohara T. Chem Pharm Bull (1985) 33, 1293
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.6 |
| 2 (CH2) | 28.4 |
| 3 (CH) | 80.1 |
| 4 (C) | 43.2 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40.3 |
| 9 (CH) | 48.1 |
| 10 (C) | 37 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 122.5 |
| 13 (C) | 144.6 |
| 14 (C) | 42 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 27.4 |
| 17 (C) | 39 |
| 18 (CH) | 43.2 |
| 19 (CH2) | 41.1 |
| 20 (C) | 41 |
| 21 (CH) | 70.5 |
| 22 (CH) | 79.7 |
| 23 (CH3) | 23.5 |
| 24 (CH2) | 64.5 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 17 |
| 27 (CH3) | 26.7 |
| 28 (CH3) | 22.3 |
| 29 (CH2) | 71.7 |
| 30 (CH3) | 17.5 |
