Spektraris NMR
2α,3β-dihydroxylup-12-en-28-oic acid
Common Name: 2α,3β-dihydroxylup-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t18-,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=XKYZQPLLLQGSRQ-APCIVXMWSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
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) | 47.4 |
| 2 (CH) | 68.6 |
| 3 (CH) | 83.6 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.3 |
| 8 (C) | 39.8 |
| 9 (CH) | 48 |
| 10 (C) | 38.2 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 125.8 |
| 13 (C) | 138.7 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 24.4 |
| 17 (C) | 48.2 |
| 18 (CH) | 53.5 |
| 19 (CH) | 39.5 |
| 20 (CH) | 39.6 |
| 21 (CH2) | 30.9 |
| 22 (CH2) | 37.2 |
| 23 (CH3) | 28.5 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 23.2 |
| 28 (C) | 180.9 |
| 29 (CH3) | 20.7 |
| 30 (CH3) | 16.8 |
