Spektraris NMR
Colubrinic acid
Common Name: Colubrinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=SLWJVQQNDGLXTK-IMBMMKFRSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Erazo S., Backhouse N., Delporte C., Negrete R., Muñoz O., López-Pérez J.L., Feliciano A.S. Bol Soc Chil Quim (1998) 43, 297-302
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 (CH) | 206.6 |
| 2 (CH) | 72.3 |
| 3 (CH) | 79.7 |
| 4 (C) | 40.4 |
| 5 (CH) | 61.8 |
| 6 (CH2) | 17.7 |
| 7 (CH2) | 33.7 |
| 8 (C) | 41.4 |
| 9 (CH) | 49.5 |
| 10 (C) | 47.4 |
| 11 (CH2) | 24.7 |
| 12 (CH2) | 23.8 |
| 13 (CH) | 37.5 |
| 14 (C) | 42.2 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 31.8 |
| 17 (C) | 55.3 |
| 18 (CH) | 48.5 |
| 19 (CH) | 46.7 |
| 20 (C) | 150.3 |
| 21 (CH2) | 30 |
| 22 (CH2) | 36.4 |
| 23 (CH3) | 25.7 |
| 24 (CH3) | 25.1 |
| 25 (CH3) | 14.5 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 14.3 |
| 28 (C) | 177.3 |
| 29 (CH2) | 109.8 |
| 30 (CH3) | 18.9 |
