Spektraris NMR
2beta-Hydroxy-3beta-[[3-O-(2-O-alpha-L-rhamnopyranosyl-beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
![2beta-Hydroxy-3beta-[[3-O-(2-O-alpha-L-rhamnopyranosyl-beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid](/nmr/static/nmr/svg/3708.svg)
Common Name: 2beta-Hydroxy-3beta-[[3-O-(2-O-alpha-L-rhamnopyranosyl-beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
Synonyms: 2beta-Hydroxy-3beta-[[3-O-(2-O-alpha-L-rhamnopyranosyl-beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C48H78O18/c1-21-29(52)32(55)34(57)39(61-21)65-37-33(56)30(53)25(19-49)63-41(37)64-36-31(54)26(20-50)62-40(35(36)58)66-38-24(51)18-45(6)27(44(38,4)5)11-12-47(8)28(45)10-9-22-23-17-43(2,3)13-15-48(23,42(59)60)16-14-46(22,47)7/h9,21,23-41,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-,40-,41-,45-,46+,47+,48-/m0/s1
InChIKey: InChIKey=YHPHCICHMVFHCR-DDIAVKJASA-N
Formula: C48H78O18
Molecular Weight: 943.123991
Exact Mass: 942.518816
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) | 43.9 |
| 2 (CH) | 70.2 |
| 3 (CH) | 89.7 |
| 4 (C) | 38.8 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.3 |
| 8 (C) | 39.9 |
| 9 (CH) | 48.4 |
| 10 (C) | 37 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.7 |
| 13 (C) | 144.9 |
| 14 (C) | 42.3 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.8 |
| 17 (C) | 46.7 |
| 18 (CH) | 42 |
| 19 (CH2) | 46.5 |
| 20 (C) | 31 |
| 21 (CH2) | 34.2 |
| 22 (CH2) | 33.3 |
| 23 (CH3) | 29.7 |
| 24 (CH3) | 17.5 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 18.7 |
| 27 (CH3) | 26.2 |
| 28 (C) | 180.2 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.9 |
| 1' (CH) | 106 |
| 2' (CH) | 73.2 |
| 3' (CH) | 90.9 |
| 4' (CH) | 69.9 |
| 5' (CH) | 77.5 |
| 6' (CH2) | 61.9 |
| 1'' (CH) | 104.9 |
| 2'' (CH) | 76.4 |
| 3'' (CH) | 74.8 |
| 4'' (CH) | 70.6 |
| 5'' (CH) | 77.1 |
| 6'' (CH2) | 62.5 |
| 1''' (CH) | 101.3 |
| 2''' (CH) | 72.1 |
| 3''' (CH) | 71.6 |
| 4''' (CH) | 74.8 |
| 5''' (CH) | 68.2 |
| 6''' (CH3) | 18.3 |
