Spektraris NMR
Cylicodiscic acid
Common Name: Cylicodiscic acid
Synonyms: Cylicodiscic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18(2)19-9-14-29(25(33)34)15-16-30(17-31)20(24(19)29)7-8-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,30)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21-,22+,23-,24+,27-,28+,29-,30-/m0/s1
InChIKey: InChIKey=KWUXNWWMRBXQRC-BBBXVDCKSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tehivounda P. , Koudogbo B. , Besace Y. , Casadevall E. Phytochemistry (1990) 29, 3255
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 39.2 |
| 2 (CH2) | 25.5 |
| 3 (CH) | 77.9 |
| 4 (C) | 39.2 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 35.8 |
| 8 (C) | 41.8 |
| 9 (CH) | 50.2 |
| 10 (C) | 37.6 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 27.7 |
| 13 (CH) | 39.4 |
| 14 (C) | 46.6 |
| 15 (CH2) | 28 |
| 16 (CH2) | 33.7 |
| 17 (C) | 56.3 |
| 18 (CH) | 50 |
| 19 (CH) | 47.5 |
| 20 (C) | 151.1 |
| 21 (CH2) | 31 |
| 22 (CH2) | 37.6 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 17 |
| 27 (CH2) | 59.9 |
| 28 (C) | 178.8 |
| 29 (CH2) | 109.5 |
| 30 (CH3) | 19.3 |
