Spektraris NMR
(20S)-3α, 29-dihydroxylupan-27-oic acid
Common Name: (20S)-3α, 29-dihydroxylupan-27-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-18(17-31)19-9-12-27(4)15-16-30(25(33)34)20(24(19)27)7-8-22-28(5)13-11-23(32)26(2,3)21(28)10-14-29(22,30)6/h18-24,31-32H,7-17H2,1-6H3,(H,33,34)/t18-,19+,20-,21+,22-,23-,24-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=HQYQGSSOWCDVED-QVZPHOOKSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yang, J., Chen, X.Q., Liu, X.X., Cao, Y.A., Lai, M.X., Wang, Q. Magn Reson Chem (2008) 46, 794-7
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) | 34.2 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 75.1 |
| 4 (C) | 39.5 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 38.3 |
| 8 (C) | 41 |
| 9 (CH) | 51.3 |
| 10 (C) | 38.1 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 28.4 |
| 13 (CH) | 38.4 |
| 14 (C) | 60.8 |
| 15 (CH2) | 25.8 |
| 16 (CH2) | 38.1 |
| 17 (C) | 42.8 |
| 18 (CH) | 50.6 |
| 19 (CH) | 39.9 |
| 20 (CH) | 38.2 |
| 21 (CH2) | 22.2 |
| 22 (CH2) | 41 |
| 23 (CH3) | 29.1 |
| 24 (CH3) | 22.7 |
| 25 (CH3) | 17 |
| 26 (CH3) | 17.6 |
| 27 (C) | 178.3 |
| 28 (CH3) | 119 |
| 29 (CH3) | 10.7 |
| 30 (CH2) | 67.8 |
