Spektraris NMR
(3β,13ξ,16β,17ξ)-16-Hydroxy-13,28-epoxyolean-11-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-deoxy-β-D-galactopyranoside
![(3β,13ξ,16β,17ξ)-16-Hydroxy-13,28-epoxyolean-11-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-deoxy-β-D-galactopyranoside](/nmr/static/nmr/svg/3715.svg)
Common Name: (3β,13ξ,16β,17ξ)-16-Hydroxy-13,28-epoxyolean-11-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-deoxy-β-D-galactopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H78O17/c1-22-30(52)37(64-39-35(57)33(55)31(53)23(19-49)61-39)38(65-40-36(58)34(56)32(54)24(20-50)62-40)41(60-22)63-29-11-12-44(6)25(43(29,4)5)9-13-45(7)26(44)10-14-48-27-17-42(2,3)15-16-47(27,21-59-48)28(51)18-46(45,48)8/h10,14,22-41,49-58H,9,11-13,15-21H2,1-8H3/t22-,23-,24-,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39+,40+,41+,44+,45-,46+,47-,48+/m1/s1
InChIKey: InChIKey=UKBCURZIYXTEHQ-CWJDCZCHSA-N
Formula: C48H78O17
Molecular Weight: 927.124586
Exact Mass: 926.523901
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mori, F., Miyase, T., Ueno, A. Phytochemistry (1994) 36, 1485-8
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) | 38.7 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 89.1 |
| 4 (C) | 39.9 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18 |
| 7 (CH2) | 32 |
| 8 (C) | 42.3 |
| 9 (CH) | 53 |
| 10 (C) | 36.4 |
| 11 (CH) | 132.1 |
| 12 (CH) | 131.2 |
| 13 (C) | 84 |
| 14 (C) | 45.7 |
| 15 (CH2) | 36.2 |
| 16 (CH) | 64.1 |
| 17 (C) | 47.1 |
| 18 (CH) | 52.2 |
| 19 (CH2) | 37.9 |
| 20 (C) | 31.7 |
| 21 (CH2) | 34.8 |
| 22 (CH2) | 25.8 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 18.2 |
| 26 (CH3) | 20 |
| 27 (CH3) | 20.9 |
| 28 (CH2) | 73.1 |
| 29 (CH3) | 33.7 |
| 30 (CH3) | 23.9 |
| 1' (CH) | 105.2 |
| 2' (CH) | 77.3 |
| 3' (CH) | 84.6 |
| 4' (CH) | 72.1 |
| 5' (CH) | 70.6 |
| 6' (CH3) | 17.2 |
| 1'' (CH) | 104.1 |
| 2'' (CH) | 76.4 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 72.7 |
| 5'' (CH) | 77.1 |
| 6'' (CH2) | 63.5 |
| 1''' (CH) | 105.2 |
| 2''' (CH) | 75.4 |
| 3''' (CH) | 78.5 |
| 4''' (CH) | 71.7 |
| 5''' (CH) | 78.5 |
| 6''' (CH2) | 62.6 |
