Spektraris NMR
Oleanderic acid
Common Name: Oleanderic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18-23-19-8-9-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,6)27(19,5)14-16-30(23,24(32)33)17-15-29(18,7)34/h15,17-23,31,34H,8-14,16H2,1-7H3,(H,32,33)/t18-,19-,20+,21-,22+,23+,26+,27-,28-,29-,30-/m1/s1
InChIKey: InChIKey=WMHFQGOQPCAZEI-XOVAVQBPSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fu L., Zhang S., Li N., Wang J., Zhao M., Sakai J., Hasegawa T., Mitsui T., Kataoka T., Oka S., Kiuchi M., Hirose K., Ando M. J Nat Prod (2005) 68, 198-206
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) | 39.1 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 79.2 |
| 4 (C) | 39.1 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 34.2 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.7 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 27.6 |
| 13 (CH) | 42.5 |
| 14 (C) | 41.5 |
| 15 (CH2) | 27.1 |
| 16 (CH2) | 25.7 |
| 17 (C) | 48.4 |
| 18 (CH) | 47.5 |
| 19 (CH) | 44.8 |
| 20 (C) | 84 |
| 21 (CH) | 134 |
| 22 (CH) | 138.7 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 16.5 |
| 27 (CH3) | 14.3 |
| 28 (C) | 175.8 |
| 29 (CH3) | 19.9 |
| 30 (CH3) | 21.3 |
