Spektraris NMR
3beta-Acetoxy-11alpha,13beta-dihydroxyoleanane-12-one
Common Name: 3beta-Acetoxy-11alpha,13beta-dihydroxyoleanane-12-one
Synonyms: 3beta-Acetoxy-11alpha,13beta-dihydroxyoleanane-12-one
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-19(33)37-22-11-12-29(7)20(27(22,4)5)10-13-30(8)24(29)23(34)25(35)32(36)21-18-26(2,3)14-15-28(21,6)16-17-31(30,32)9/h20-24,34,36H,10-18H2,1-9H3/t20-,21+,22-,23-,24+,28+,29-,30+,31-,32+/m0/s1
InChIKey: InChIKey=USDSYLZMFDBWGE-MIAAUJDISA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
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) | 38.1 |
| 2 (CH2) | 24.7 |
| 3 (CH) | 80.8 |
| 4 (C) | 38.4 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 33.2 |
| 8 (C) | 43.1 |
| 9 (CH) | 56.7 |
| 10 (C) | 39.6 |
| 11 (CH) | 71.9 |
| 12 (C) | 201.2 |
| 13 (C) | 81.5 |
| 14 (C) | 44.9 |
| 15 (CH2) | 20.7 |
| 16 (CH2) | 39.1 |
| 17 (C) | 31.4 |
| 18 (CH) | 44.9 |
| 19 (CH2) | 37.9 |
| 20 (C) | 27.7 |
| 21 (CH2) | 33.7 |
| 22 (CH2) | 30.4 |
| 23 (CH3) | 27.7 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 20.2 |
| 27 (CH3) | 23.4 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 29.3 |
| 30 (CH3) | 31 |
| 3a (C) | 171.5 |
| 3b (CH3) | 22.3 |
