Spektraris NMR
23-Hydroxy-3-oxours-12-en-28-oic acid
Common Name: 23-Hydroxy-3-oxours-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-22,24,31H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,24+,26+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=RWFVBIQKMCLKMM-CARKBDGISA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fourie T.G., Matthee E., Snyckers F.O. Phytochemistry (1989) 28, 2851
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 (CH2) | 38.8 |
| 2 (CH2) | 35.2 |
| 3 (C) | 219 |
| 4 (C) | 52.4 |
| 5 (CH) | 49 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 32.3 |
| 8 (C) | 39.5 |
| 9 (CH) | 46.6 |
| 10 (C) | 36.7 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 125.4 |
| 13 (C) | 138.2 |
| 14 (C) | 42.1 |
| 15 (CH2) | 28 |
| 16 (CH2) | 24 |
| 17 (C) | 48 |
| 18 (CH) | 52.6 |
| 19 (CH) | 39 |
| 20 (CH) | 38.8 |
| 21 (CH2) | 30.6 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 67 |
| 24 (CH3) | 17.2 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 23.6 |
| 28 (C) | 183.6 |
| 29 (CH3) | 17 |
| 30 (CH3) | 21.1 |
