Spektraris NMR
(+)-Oricinolide
Common Name: (+)-Oricinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12-20,26-29H,6,8-9H2,1-5H3/t10?,12-,13-,14+,15+,16+,17+,18-,19+,20+,23-,24-,25+/m0/s1
InChIKey: InChIKey=CTVFYIPSHBVBJG-LXYJTSHVSA-N
Formula: C25H36O9
Molecular Weight: 480.548909
Exact Mass: 480.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muhammad, I., Bedir, E., Khan, S.I., Tekwani, B.L., Khan, I.A., Takamatsu, S., Pelletier, J., Walker, L.A. J Nat Prod (2004) 67, 772-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Picrasanes; 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) | 81.5 |
| 2 (CH) | 73.1 |
| 3 (CH) | 123.6 |
| 4 (C) | 135.4 |
| 5 (CH) | 43 |
| 6 (CH2) | 28.3 |
| 7 (CH) | 84.3 |
| 8 (C) | 44.1 |
| 9 (CH) | 42.2 |
| 10 (C) | 46.5 |
| 11 (CH) | 74.8 |
| 12 (CH) | 78.9 |
| 13 (C) | 80.9 |
| 14 (CH) | 52.6 |
| 15 (CH) | 67.9 |
| 16 (C) | 167.7 |
| 18 (CH3) | 21.1 |
| 19 (CH3) | 12 |
| 20 (CH2) | 72.7 |
| 21 (CH3) | 23.4 |
| 15a (C) | 175.7 |
| 15b (CH) | 41.3 |
| 15c (CH2) | 27 |
| 15d (CH3) | 11.9 |
| 15ba (CH3) | 16.7 |
