Spektraris NMR
(3beta,4alpha)-3-[(o-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-o-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl)oxy]-23-hydroxy-lup-20(29)-en-28-oic acid
![(3beta,4alpha)-3-[(o-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-o-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl)oxy]-23-hydroxy-lup-20(29)-en-28-oic acid](/nmr/static/nmr/svg/19750.svg)
Common Name: (3beta,4alpha)-3-[(o-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-o-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl)oxy]-23-hydroxy-lup-20(29)-en-28-oic acid
Synonyms: (3beta,4alpha)-3-[(o-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-o-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl)oxy]-23-hydroxy-lup-20(29)-en-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)63-41-38(64-39-36(55)34(53)31(50)22(3)60-39)33(52)26(19-59-41)62-40-37(56)35(54)32(51)25(18-48)61-40/h22-41,48-56H,1,8-20H2,2-7H3,(H,57,58)/t22-,23-,24+,25+,26-,27+,28+,29-,30+,31-,32+,33-,34+,35-,36+,37+,38+,39-,40-,41-,43-,44-,45+,46+,47-/m0/s1
InChIKey: InChIKey=XFCSYQCYIKSNBB-WZGBEVHGSA-N
Formula: C47H76O17
Molecular Weight: 913.097968
Exact Mass: 912.508251
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) | 39.6 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 81.6 |
| 4 (C) | 44 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 34.8 |
| 8 (C) | 41.5 |
| 9 (CH) | 51.4 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 38.4 |
| 14 (C) | 43.2 |
| 15 (CH2) | 30.7 |
| 16 (CH2) | 33.3 |
| 17 (C) | 57 |
| 18 (CH) | 50.2 |
| 19 (CH) | 48.4 |
| 20 (C) | 151.6 |
| 21 (CH2) | 31.6 |
| 22 (CH2) | 38 |
| 23 (CH2) | 64.3 |
| 24 (CH3) | 14.1 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 15.3 |
| 28 (C) | 179.3 |
| 29 (CH2) | 110.3 |
| 30 (CH3) | 19.8 |
| 1' (CH) | 104.7 |
| 2' (CH) | 76.8 |
| 3' (CH) | 75.2 |
| 4' (CH) | 80.6 |
| 5' (CH2) | 65.6 |
| 1'' (CH) | 102.1 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 72.6 |
| 4'' (CH) | 74.5 |
| 5'' (CH) | 70 |
| 6'' (CH3) | 19 |
| 1''' (CH) | 107 |
| 2''' (CH) | 75.8 |
| 3''' (CH) | 78.9 |
| 4''' (CH) | 71.7 |
| 5''' (CH) | 79.1 |
| 6''' (CH2) | 62.9 |
