Spektraris NMR
23-Hydroxy-3beta-(4-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyloxy)lupa-20(29)-ene-28-oic acid
Common Name: 23-Hydroxy-3beta-(4-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyloxy)lupa-20(29)-ene-28-oic acid
Synonyms: 23-Hydroxy-3beta-(4-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyloxy)lupa-20(29)-ene-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C41H66O13/c1-20(2)21-9-14-41(36(49)50)16-15-39(5)22(28(21)41)7-8-26-37(3)12-11-27(38(4,19-43)25(37)10-13-40(26,39)6)54-34-32(47)30(45)24(18-51-34)53-35-33(48)31(46)29(44)23(17-42)52-35/h21-35,42-48H,1,7-19H2,2-6H3,(H,49,50)/t21-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,37-,38-,39+,40+,41-/m0/s1
InChIKey: InChIKey=JCANRUGQLLZCME-OIQDTBJDSA-N
Formula: C41H66O13
Molecular Weight: 766.956526
Exact Mass: 766.450342
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Bang, S.C., Kim, Y., Lee, J.H., Ahn, B.Z. J Nat Prod (2005) 68, 268-72
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) | 26.4 |
| 3 (CH) | 82.2 |
| 4 (C) | 43.7 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.6 |
| 8 (C) | 41.3 |
| 9 (CH) | 51.1 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 38.8 |
| 14 (C) | 43 |
| 15 (CH2) | 30.5 |
| 16 (CH2) | 33.1 |
| 17 (C) | 56.9 |
| 18 (CH) | 50 |
| 19 (CH) | 48 |
| 20 (C) | 151.6 |
| 21 (CH2) | 31.4 |
| 22 (CH2) | 37.8 |
| 23 (CH2) | 64.5 |
| 24 (CH3) | 13.6 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 15 |
| 28 (C) | 180 |
| 29 (CH2) | 110.1 |
| 30 (CH3) | 19.6 |
| 1' (CH) | 106.5 |
| 2' (CH) | 73.8 |
| 3' (CH) | 74.8 |
| 4' (CH) | 79.9 |
| 5' (CH2) | 66.4 |
| 1'' (CH) | 106.9 |
| 2'' (CH) | 75.9 |
| 3'' (CH) | 78.8 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 78.5 |
| 6'' (CH2) | 62.8 |
