Spektraris NMR
Oleanderol
Common Name: Oleanderol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(2)20-9-14-29(17-31)15-16-30(18-32)21(25(20)29)7-8-23-27(5)12-11-24(33)26(3,4)22(27)10-13-28(23,30)6/h7,20,22-25,31-33H,1,8-18H2,2-6H3/t20-,22-,23+,24-,25+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=MGVRARFPKYMFHG-ZFTKPFTMSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui S., Hafeez F., S.Begum, Siddiqui B.S. J Nat Prod (1988) 51, 229
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 (CH2) | 38.7 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 79 |
| 4 (C) | 38.4 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.4 |
| 8 (C) | 41 |
| 9 (CH) | 50.6 |
| 10 (C) | 37 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 125 |
| 13 (C) | 140 |
| 14 (C) | 50.5 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 29.7 |
| 17 (C) | 48.9 |
| 18 (CH) | 49.3 |
| 19 (CH) | 46.9 |
| 20 (C) | 151 |
| 21 (CH2) | 30.6 |
| 22 (CH2) | 32.2 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.3 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16.1 |
| 27 (CH2) | 69.9 |
| 28 (CH2) | 60.6 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.4 |
