Spektraris NMR
6alpha-Hydroxyoleana-12-ene-3-one
Common Name: 6alpha-Hydroxyoleana-12-ene-3-one
Synonyms: 6alpha-Hydroxyoleana-12-ene-3-one
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-22,24,31H,10-18H2,1-8H3/t20-,21-,22+,24-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=YCTXVPCDHZMBHX-ITODWHPPSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, K.W., Sun, H.X., Wu, B., Pan, Y.J. Helv Chim Acta (2005) 88, 990-5
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) | 39.2 |
| 2 (CH2) | 33.3 |
| 3 (C) | 219.6 |
| 4 (C) | 47.4 |
| 5 (CH) | 59 |
| 6 (CH) | 68 |
| 7 (CH2) | 43.4 |
| 8 (C) | 42.3 |
| 9 (CH) | 47.5 |
| 10 (C) | 38.3 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 121.9 |
| 13 (C) | 144.8 |
| 14 (C) | 41 |
| 15 (CH2) | 26.3 |
| 16 (CH2) | 27.2 |
| 17 (C) | 32.8 |
| 18 (CH) | 45.9 |
| 19 (CH2) | 47 |
| 20 (C) | 31.3 |
| 21 (CH2) | 34.9 |
| 22 (CH2) | 37.3 |
| 23 (CH3) | 32 |
| 24 (CH3) | 20.4 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 26 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 33.5 |
| 30 (CH3) | 23.9 |
