Spektraris NMR
3beta,22alpha,28-Trihydroxy-25-norlupa-1(10),20(29)-dien-2-one
Common Name: 3beta,22alpha,28-Trihydroxy-25-norlupa-1(10),20(29)-dien-2-one
Synonyms: 3beta,22alpha,28-Trihydroxy-25-norlupa-1(10),20(29)-dien-2-one
CAS Registry Number:
InChI: InChI=1S/C29H44O4/c1-16(2)17-14-23(32)29(15-30)12-11-28(6)21(24(17)29)8-7-20-18-13-22(31)25(33)26(3,4)19(18)9-10-27(20,28)5/h13,17,19-21,23-25,30,32-33H,1,7-12,14-15H2,2-6H3/t17-,19+,20+,21+,23-,24+,25-,27+,28+,29+/m0/s1
InChIKey: InChIKey=XGIBCWOSTMRYAN-QYMCXRCUSA-N
Formula: C29H44O4
Molecular Weight: 456.658354
Exact Mass: 456.32396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Begum, S., Sultana, R., Siddiqui, B.S. Phytochemistry (1997) 44, 329-32
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 (CH) | 125 |
| 2 (C) | 203 |
| 3 (CH) | 82 |
| 4 (C) | 48 |
| 5 (CH) | 42.5 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 32.5 |
| 8 (C) | 41.3 |
| 9 (CH) | 43 |
| 10 (C) | 165 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 25.5 |
| 13 (CH) | 26.8 |
| 14 (C) | 42 |
| 15 (CH2) | 26.8 |
| 16 (CH2) | 25.6 |
| 17 (C) | 50.8 |
| 18 (CH) | 47.8 |
| 19 (CH) | 49.1 |
| 20 (C) | 150.2 |
| 21 (CH2) | 40.8 |
| 22 (CH) | 75.5 |
| 23 (CH3) | 29.2 |
| 24 (CH3) | 15.8 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 14.9 |
| 28 (CH2) | 65.5 |
| 29 (CH2) | 109.5 |
| 30 (CH3) | 19.5 |
