Spektraris NMR
ursoxy acid
Common Name: ursoxy acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O4/c1-19-10-13-29(25(32)33)15-14-27(5)21(24(29)20(19)2)8-9-23-28(27,6)12-11-22-26(3,4)31(34-7)17-16-30(22,23)18-35-31/h8,19-20,22-24H,9-18H2,1-7H3,(H,32,33)/t19-,20+,22+,23+,24+,27-,28-,29+,30-,31-/m1/s1
InChIKey: InChIKey=AWNJFQYALWSXQG-YJDSAHDLSA-N
Formula: C31H48O4
Molecular Weight: 484.711589
Exact Mass: 484.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Begum, S., Wahab, A., Siddiqui, B.S. Helv Chim Acta (2002) 85, 2335-41
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) | 35 |
| 2 (CH2) | 27.8 |
| 3 (C) | 100.5 |
| 4 (C) | 38.8 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 31.2 |
| 8 (C) | 40.8 |
| 9 (CH) | 42 |
| 10 (C) | 34.7 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 126 |
| 13 (C) | 138 |
| 14 (C) | 42.1 |
| 15 (CH2) | 29.7 |
| 16 (CH2) | 24.1 |
| 17 (C) | 48.2 |
| 18 (CH) | 53 |
| 19 (CH) | 39.1 |
| 20 (CH) | 38.9 |
| 21 (CH2) | 30.6 |
| 22 (CH2) | 36.8 |
| 23 (CH3) | 27.3 |
| 24 (CH3) | 16.9 |
| 25 (CH2) | 67.9 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 23.5 |
| 28 (C) | 180.6 |
| 29 (CH3) | 17 |
| 30 (CH3) | 21.2 |
| 3a (CH3) | 49.4 |
