Spektraris NMR
Cincholic acid
Common Name: Cincholic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)13-14-29(23(32)33)15-16-30(24(34)35)18(19(29)17-25)7-8-21-27(5)11-10-22(31)26(3,4)20(27)9-12-28(21,30)6/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20-,21+,22-,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=NGAUATZUWHZXEK-NLCQKWKWSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rumbero Sanchez A., Vazquez P. Phytochemistry (1991) 30, 623
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) | 39.2 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 77.8 |
| 4 (C) | 39.1 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 37.4 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.5 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 125.9 |
| 13 (C) | 138.1 |
| 14 (C) | 56.5 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 24.9 |
| 17 (C) | 47.7 |
| 18 (CH) | 44.2 |
| 19 (CH2) | 44 |
| 20 (C) | 30.9 |
| 21 (CH2) | 34 |
| 22 (CH2) | 32.8 |
| 23 (CH3) | 28.5 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 18.7 |
| 27 (C) | 178.5 |
| 28 (C) | 180.2 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.7 |
