Spektraris NMR
3β-hydroxylup-12-en-28-oic acid
Common Name: 3β-hydroxylup-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t19-,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=KOQBBUWNLZFEMV-SXDGTAOVSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Manoharan, K.P., Song, F.J., Benny, T.K.H., Yang, D. Magn Reson Chem (2007) 45, 279-81
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 27.1 |
| 3 (CH) | 79 |
| 4 (C) | 39.2 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 33.5 |
| 8 (C) | 40.1 |
| 9 (CH) | 48.1 |
| 10 (C) | 37.4 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 126.1 |
| 13 (C) | 138.8 |
| 14 (C) | 42.9 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 24.6 |
| 17 (C) | 48.3 |
| 18 (CH) | 53.4 |
| 19 (CH) | 39.6 |
| 20 (CH) | 39.5 |
| 21 (CH2) | 31.1 |
| 22 (CH2) | 36.3 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.8 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 23.7 |
| 28 (C) | 181.1 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 17.2 |
