Spektraris NMR
(3β,16α)-16-Hydroxy-30-oxo-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-α-L-arabinopyranoside
Common Name: (3β,16α)-16-Hydroxy-30-oxo-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-α-L-arabinopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H76O17/c1-22-30(51)33(54)36(57)39(60-22)64-37-34(55)31(52)23(18-48)61-40(37)62-24-19-58-38(35(56)32(24)53)63-29-10-11-43(5)25(41(29,2)3)8-12-44(6)26(43)9-13-47-27-16-42(4,20-49)14-15-46(27,21-59-47)28(50)17-45(44,47)7/h20,22-40,48,50-57H,8-19,21H2,1-7H3/t22-,23+,24-,25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+,47-/m0/s1
InChIKey: InChIKey=MKOLINYFCYHLHC-AIZXFEFNSA-N
Formula: C47H76O17
Molecular Weight: 913.097968
Exact Mass: 912.508251
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lavaud, C., Massiot, G., Barrera, J.B., Moretti, C., Lemenolivier, L. Phytochemistry (1994) 37, 1671-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 37.8 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 90.9 |
| 4 (C) | 40.3 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 35.1 |
| 8 (C) | 43.4 |
| 9 (CH) | 54 |
| 10 (C) | 40 |
| 11 (CH2) | 19.8 |
| 12 (CH2) | 33.2 |
| 13 (C) | 88.2 |
| 14 (C) | 45.6 |
| 15 (CH2) | 37 |
| 16 (CH) | 77.8 |
| 17 (C) | 44.7 |
| 18 (CH) | 51.3 |
| 19 (CH2) | 34 |
| 20 (C) | 49 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 32.8 |
| 23 (CH3) | 28.5 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 16.8 |
| 26 (CH3) | 18 |
| 27 (CH3) | 20.1 |
| 28 (CH2) | 78.4 |
| 29 (CH3) | 24.3 |
| 30 (CH) | 209 |
| 1' (CH) | 107.1 |
| 2' (CH) | 74.3 |
| 3' (CH) | 73.2 |
| 4' (CH) | 78.8 |
| 5' (CH2) | 66.2 |
| 1'' (CH) | 105 |
| 2'' (CH) | 79.5 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 77.8 |
| 6'' (CH2) | 62.7 |
| 1''' (CH) | 102 |
| 2''' (CH) | 71.9 |
| 3''' (CH) | 71.9 |
| 4''' (CH) | 74 |
| 5''' (CH) | 70.5 |
| 6''' (CH3) | 18.7 |
