Spektraris NMR
3-oxo-11α-hydroxy-urs-12-ene
Common Name: 3-oxo-11α-hydroxy-urs-12-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20-22,24,31H,9-16,18H2,1-8H3/t20-,21+,22-,24+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=NEHRENUUQPLODB-MNAFELPASA-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 : 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) | 41.1 |
| 2 (CH2) | 32.8 |
| 3 (C) | 217.4 |
| 4 (C) | 47.7 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 32.8 |
| 8 (C) | 41.9 |
| 9 (CH) | 55.5 |
| 10 (C) | 37.6 |
| 11 (CH) | 67.9 |
| 12 (CH) | 125.5 |
| 13 (C) | 149 |
| 14 (C) | 43.2 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 26 |
| 17 (C) | 32.3 |
| 18 (CH) | 46.7 |
| 19 (CH2) | 46.3 |
| 20 (C) | 31 |
| 21 (CH2) | 34.6 |
| 22 (CH2) | 36.8 |
| 23 (CH3) | 26.7 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 26.1 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 33 |
| 30 (CH3) | 23.6 |
