Spektraris NMR
11-Oxo-18alpha-hydroperoxyoleanane-12-ene-3beta-ol acetate
Common Name: 11-Oxo-18alpha-hydroperoxyoleanane-12-ene-3beta-ol acetate
Synonyms: 11-Oxo-18alpha-hydroperoxyoleanane-12-ene-3beta-ol acetate
CAS Registry Number:
InChI: InChI=1S/C32H50O5/c1-20(33)36-24-11-12-29(7)22(27(24,4)5)10-13-31(9)25(29)21(34)18-23-30(31,8)17-16-28(6)15-14-26(2,3)19-32(23,28)37-35/h18,22,24-25,35H,10-17,19H2,1-9H3/t22-,24-,25+,28+,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=IFOAOMXLDNSULJ-AEMVHHINSA-N
Formula: C32H50O5
Molecular Weight: 514.737611
Exact Mass: 514.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chiang, Y.M., Kuo, Y.H. J Nat Prod (2001) 64, 436-9
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) | 38.7 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 80.6 |
| 4 (C) | 38 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 17.4 |
| 7 (CH2) | 32.5 |
| 8 (C) | 45.4 |
| 9 (CH) | 61.3 |
| 10 (C) | 36.8 |
| 11 (C) | 200.4 |
| 12 (CH) | 128.5 |
| 13 (C) | 160.6 |
| 14 (C) | 43.9 |
| 15 (CH2) | 26 |
| 16 (CH2) | 30.3 |
| 17 (C) | 37.5 |
| 18 (C) | 86 |
| 19 (CH2) | 36 |
| 20 (C) | 30.8 |
| 21 (CH2) | 33.4 |
| 22 (CH2) | 31.2 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 18.5 |
| 27 (CH3) | 21.8 |
| 28 (CH3) | 19.8 |
| 29 (CH3) | 28.1 |
| 30 (CH3) | 34.8 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
