Spektraris NMR
2beta,23-Dihydroxy-3beta-[[3-O-beta-D-galactopyranosyl-4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
![2beta,23-Dihydroxy-3beta-[[3-O-beta-D-galactopyranosyl-4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid](/nmr/static/nmr/svg/3705.svg)
Common Name: 2beta,23-Dihydroxy-3beta-[[3-O-beta-D-galactopyranosyl-4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
Synonyms: 2beta,23-Dihydroxy-3beta-[[3-O-beta-D-galactopyranosyl-4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C48H78O20/c1-43(2)11-13-48(42(61)62)14-12-46(5)21(22(48)15-43)7-8-28-44(3)16-23(53)38(45(4,20-52)27(44)9-10-47(28,46)6)68-41-35(60)37(67-40-34(59)32(57)30(55)25(18-50)64-40)36(26(19-51)65-41)66-39-33(58)31(56)29(54)24(17-49)63-39/h7,22-41,49-60H,8-20H2,1-6H3,(H,61,62)/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-/m0/s1
InChIKey: InChIKey=MENRTJQWXSDCML-VBMJBYRMSA-N
Formula: C48H78O20
Molecular Weight: 975.1228
Exact Mass: 974.508645
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Thiilborg, S.T., Christensen, S.B., Cornett, C., Olsen, C.E., Lemmich, E. Phytochemistry (1994) 36, 753-9
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) | 44.3 |
| 2 (CH) | 70 |
| 3 (CH) | 82.4 |
| 4 (C) | 42.9 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 33 |
| 8 (C) | 39.9 |
| 9 (CH) | 47.6 |
| 10 (C) | 37 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 122.6 |
| 13 (C) | 144.9 |
| 14 (C) | 42.3 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 24 |
| 17 (C) | 46.8 |
| 18 (CH) | 42.1 |
| 19 (CH2) | 46.6 |
| 20 (C) | 31 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 30 |
| 23 (CH2) | 64.8 |
| 24 (CH3) | 15.1 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 26.3 |
| 28 (C) | 180 |
| 29 (CH3) | 33.4 |
| 30 (CH3) | 23.9 |
| 1' (CH) | 105 |
| 2' (CH) | 73.8 |
| 3' (CH) | 82.8 |
| 4' (CH) | 71.5 |
| 5' (CH) | 71.1 |
| 6' (CH2) | 61.9 |
| 1'' (CH) | 102.6 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 14.3 |
| 4'' (CH) | 70.6 |
| 5'' (CH) | 75.4 |
| 6'' (CH2) | 61.2 |
| 1''' (CH) | 105 |
| 2''' (CH) | 15.1 |
| 3''' (CH) | 78.2 |
| 4''' (CH) | 10.9 |
| 5''' (CH) | 77.7 |
| 6''' (CH2) | 61.8 |
