Spektraris NMR
3beta,11alpha-Diacetoxy-13beta-hydroxyoleanane-12-one
Common Name: 3beta,11alpha-Diacetoxy-13beta-hydroxyoleanane-12-one
Synonyms: 3beta,11alpha-Diacetoxy-13beta-hydroxyoleanane-12-one
CAS Registry Number:
InChI: InChI=1S/C34H54O6/c1-20(35)39-24-12-13-31(8)22(29(24,5)6)11-14-32(9)26(31)25(40-21(2)36)27(37)34(38)23-19-28(3,4)15-16-30(23,7)17-18-33(32,34)10/h22-26,38H,11-19H2,1-10H3/t22-,23+,24-,25-,26+,30+,31-,32+,33-,34+/m0/s1
InChIKey: InChIKey=DSICOADBIKAGSE-DPJQMALGSA-N
Formula: C34H54O6
Molecular Weight: 558.790251
Exact Mass: 558.392039
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Herat, H.M., Athukoralage, P.S., Jamie, J.F. Phytochemistry (2000) 54, 823-7
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) | 38.4 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 80 |
| 4 (C) | 38.3 |
| 5 (CH) | 55 |
| 6 (CH2) | 17.6 |
| 7 (CH2) | 33.9 |
| 8 (C) | 43.8 |
| 9 (CH) | 53.8 |
| 10 (C) | 39.7 |
| 11 (CH) | 74.2 |
| 12 (C) | 202.4 |
| 13 (C) | 82.8 |
| 14 (C) | 44.6 |
| 15 (CH2) | 22.7 |
| 16 (CH2) | 39.2 |
| 17 (C) | 33.5 |
| 18 (CH) | 48.8 |
| 19 (CH2) | 39 |
| 20 (C) | 33.4 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 30.3 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 20.7 |
| 27 (CH3) | 18.6 |
| 28 (CH3) | 31.3 |
| 29 (CH3) | 32 |
| 30 (CH3) | 24.7 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.4 |
| 11a (C) | 170.1 |
| 11b (CH3) | 21.3 |
