Spektraris NMR
(+)-Oricinolide acetate
Common Name: (+)-Oricinolide acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O12/c1-9-13(2)27(36)43-22-24-30(8)26(41-17(6)34)21(35)23-29(7)18(11-20(42-28(22)37)31(23,24)12-38-30)14(3)10-19(39-15(4)32)25(29)40-16(5)33/h10,13,18-26,35H,9,11-12H2,1-8H3/t13?,18-,19-,20+,21+,22+,23+,24-,25+,26+,29-,30-,31+/m0/s1
InChIKey: InChIKey=XWIMIAMDCORQOM-QWCLEBOQSA-N
Formula: C31H42O12
Molecular Weight: 606.659184
Exact Mass: 606.267627
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) | 78.9 |
| 2 (CH) | 70.1 |
| 3 (CH) | 120.2 |
| 4 (C) | 137.6 |
| 5 (CH) | 44 |
| 6 (CH2) | 27.7 |
| 7 (CH) | 83.3 |
| 8 (C) | 45.7 |
| 9 (CH) | 42 |
| 10 (C) | 45.7 |
| 11 (CH) | 73.5 |
| 12 (CH) | 80.1 |
| 13 (C) | 80 |
| 14 (CH) | 53 |
| 15 (CH) | 63.1 |
| 16 (C) | 166.7 |
| 18 (CH3) | 21.1 |
| 19 (CH3) | 12.5 |
| 20 (CH2) | 73 |
| 21 (CH3) | 23 |
| 1a (C) | 170.9 |
| 1b (CH3) | 21.5 |
| 2a (C) | 170.7 |
| 2b (CH3) | 21.3 |
| 12a (C) | 169.6 |
| 12b (CH3) | 21.4 |
| 15a (C) | 174.6 |
| 15b (CH) | 41.2 |
| 15c (CH2) | 27.1 |
| 15d (CH3) | 12 |
| 15ba (CH3) | 16.9 |
