Spektraris NMR
3beta-Acetoxyoleana-13(18)-ene-12,19-dione
Common Name: 3beta-Acetoxyoleana-13(18)-ene-12,19-dione
Synonyms: 3beta-Acetoxyoleana-13(18)-ene-12,19-dione
CAS Registry Number:
InChI: InChI=1S/C32H48O4/c1-19(33)36-23-11-12-30(7)21(28(23,4)5)10-13-31(8)22(30)18-20(34)24-25-26(35)27(2,3)14-15-29(25,6)16-17-32(24,31)9/h21-23H,10-18H2,1-9H3/t21-,22+,23-,29+,30-,31+,32+/m0/s1
InChIKey: InChIKey=UBRSSGIFIWILOJ-HVURVZKQSA-N
Formula: C32H48O4
Molecular Weight: 496.722325
Exact Mass: 496.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chiang, Y.M., Chang, J.Y., Kuo, C.C., Chang, C.Y., Kuo, Y.H. Phytochemistry (2005) 66, 495-501
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) | 37.9 |
| 2 (CH2) | 23.4 |
| 3 (CH) | 80.3 |
| 4 (C) | 37.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18 |
| 7 (CH2) | 34.6 |
| 8 (C) | 41.3 |
| 9 (CH) | 49.8 |
| 10 (C) | 37.3 |
| 11 (CH2) | 39.3 |
| 12 (C) | 205.2 |
| 13 (C) | 145.3 |
| 14 (C) | 45.1 |
| 15 (CH2) | 24.8 |
| 16 (CH2) | 36.6 |
| 17 (C) | 40.1 |
| 18 (C) | 148 |
| 19 (C) | 211.4 |
| 20 (C) | 46.3 |
| 21 (CH2) | 36.3 |
| 22 (CH2) | 33.7 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 20.6 |
| 28 (CH3) | 23.1 |
| 29 (CH3) | 24.7 |
| 30 (CH3) | 24.5 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.2 |
