Spektraris NMR
Fupenzic acid
Common Name: Fupenzic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=FMTPULGTIHBJRT-BBRBLNSOSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hattori M., Kuo K.P., Shu Y.Z., Tezuka Y., Kikuchi T., Namba T. Phytochemistry (1988) 27, 3975
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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 (CH) | 130.9 |
| 2 (C) | 146.7 |
| 3 (C) | 203.2 |
| 4 (C) | 46.2 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 34.8 |
| 8 (C) | 40.2 |
| 9 (CH) | 44.9 |
| 10 (C) | 43.7 |
| 11 (CH2) | 25.4 |
| 12 (CH) | 129.8 |
| 13 (C) | 141.1 |
| 14 (C) | 42.5 |
| 15 (CH2) | 30.3 |
| 16 (CH2) | 27.3 |
| 17 (C) | 48 |
| 18 (CH) | 56 |
| 19 (C) | 74.3 |
| 20 (CH) | 43.7 |
| 21 (CH2) | 28 |
| 22 (CH2) | 39.6 |
| 23 (CH3) | 28.9 |
| 24 (CH3) | 23 |
| 25 (CH3) | 21 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 25.6 |
| 28 (C) | 182.8 |
| 29 (CH3) | 27.9 |
| 30 (CH3) | 17.3 |
