Spektraris NMR
11beta-Hydroxyurs-12-ene-3-one
Common Name: 11beta-Hydroxyurs-12-ene-3-one
Synonyms: 11beta-Hydroxyurs-12-ene-3-one
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-18-9-12-27(5)15-16-29(7)20(24(27)19(18)2)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h17-19,21-22,24-25,31H,9-16H2,1-8H3/t18-,19+,21+,22+,24+,25-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=LRMCLMBQNJUJOA-JWPDQTIBSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lima, F.V., Malheiros, A., Otuki, M.F., Calixto, J.B., Yunes, R.A., Cechinel, V., Delle Monache, F. J. Braz. Chem. Soc. (2005) 16, 578-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 40.1 |
| 2 (CH2) | 34.2 |
| 3 (C) | 218 |
| 4 (C) | 47.6 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 32.4 |
| 8 (C) | 43 |
| 9 (CH) | 47.8 |
| 10 (C) | 37.4 |
| 11 (CH) | 81.8 |
| 12 (CH) | 124.8 |
| 13 (C) | 146.1 |
| 14 (C) | 42 |
| 15 (CH2) | 27.9 |
| 16 (CH2) | 26.3 |
| 17 (C) | 33.8 |
| 18 (CH) | 58.7 |
| 19 (CH) | 39.4 |
| 20 (CH) | 39.3 |
| 21 (CH2) | 31.1 |
| 22 (CH2) | 41.3 |
| 23 (CH3) | 26.5 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 18.1 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 22 |
| 28 (CH3) | 28.5 |
| 29 (CH3) | 17.5 |
| 30 (CH3) | 21.3 |
