Spektraris NMR
(3β)-12,28-Dioxo-13,28-epoxyolean-9(11)-en-3-yl acetate
Common Name: (3β)-12,28-Dioxo-13,28-epoxyolean-9(11)-en-3-yl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h17,20,22,24H,9-16,18H2,1-8H3/t20-,22+,24-,28-,29+,30-,31-,32+/m0/s1
InChIKey: InChIKey=VEJIPKGNKIPFPR-BYIQHCNQSA-N
Formula: C32H46O5
Molecular Weight: 510.705848
Exact Mass: 510.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Lopez, P.E., Melguizo, E., Parra, A., Simeo, Y. Tetrahedron (2004) 60, 1491-503
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 34 |
| 2 (CH2) | 23.9 |
| 3 (CH) | 79.6 |
| 4 (C) | 38.3 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 17.2 |
| 7 (CH2) | 34.1 |
| 8 (C) | 41.7 |
| 9 (C) | 183.6 |
| 10 (C) | 40.3 |
| 11 (CH) | 121.8 |
| 12 (C) | 192.4 |
| 13 (C) | 87.9 |
| 14 (C) | 43.6 |
| 15 (CH2) | 25.9 |
| 16 (CH2) | 20.3 |
| 17 (C) | 46 |
| 18 (CH) | 44 |
| 19 (CH2) | 36.1 |
| 20 (C) | 31.7 |
| 21 (CH2) | 36.7 |
| 22 (CH2) | 27.2 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 24.5 |
| 26 (CH3) | 30.1 |
| 27 (CH3) | 23.1 |
| 28 (C) | 178.8 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.9 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
