Spektraris NMR
3beta-[[2-O-[2-O-(alpha-L-Rhamnopyranosyl)-beta-D-galactopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]-22beta-(beta-D-glucopyranosyloxy)olean-12-en-24-ol
![3beta-[[2-O-[2-O-(alpha-L-Rhamnopyranosyl)-beta-D-galactopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]-22beta-(beta-D-glucopyranosyloxy)olean-12-en-24-ol](/nmr/static/nmr/svg/19904.svg)
Common Name: 3beta-[[2-O-[2-O-(alpha-L-Rhamnopyranosyl)-beta-D-galactopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]-22beta-(beta-D-glucopyranosyloxy)olean-12-en-24-ol
Synonyms: 3beta-[[2-O-[2-O-(alpha-L-Rhamnopyranosyl)-beta-D-galactopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]-22beta-(beta-D-glucopyranosyloxy)olean-12-en-24-ol
CAS Registry Number:
InChI: InChI=1S/C55H90O23/c1-23-32(59)35(62)40(67)46(71-23)77-43-37(64)34(61)27(21-57)73-48(43)78-44-39(66)38(65)42(45(69)70-9)76-49(44)74-30-13-14-52(5)28(53(30,6)22-58)12-15-55(8)29(52)11-10-24-25-18-50(2,3)19-31(51(25,4)16-17-54(24,55)7)75-47-41(68)36(63)33(60)26(20-56)72-47/h10,23,25-44,46-49,56-68H,11-22H2,1-9H3/t23-,25-,26+,27+,28+,29+,30-,31+,32-,33+,34-,35+,36-,37-,38-,39-,40+,41+,42-,43+,44+,46-,47-,48-,49+,51+,52-,53+,54+,55+/m0/s1
InChIKey: InChIKey=FNVKVCWIRONQGH-SBQMAGMASA-N
Formula: C55H90O23
Molecular Weight: 1119.291456
Exact Mass: 1118.587289
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
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) | 38.6 |
| 2 (CH2) | 26 |
| 3 (CH) | 91.1 |
| 4 (C) | 43.9 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.3 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.8 |
| 10 (C) | 36.4 |
| 11 (CH2) | 24 |
| 12 (CH) | 122.5 |
| 13 (C) | 144.4 |
| 14 (C) | 42.3 |
| 15 (CH2) | 26.7 |
| 16 (CH2) | 28.6 |
| 17 (C) | 37.4 |
| 18 (CH) | 45.8 |
| 19 (CH2) | 46.4 |
| 20 (C) | 30.6 |
| 21 (CH2) | 37.5 |
| 22 (CH) | 82.5 |
| 23 (CH3) | 23 |
| 24 (CH2) | 63.6 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 25.3 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 32.5 |
| 30 (CH3) | 21.1 |
| 1' (CH) | 105.5 |
| 2' (CH) | 78.9 |
| 3' (CH) | 76.4 |
| 4' (CH) | 73.6 |
| 5' (CH) | 77.7 |
| 6' (C) | 170.4 |
| 1'' (CH) | 101.7 |
| 2'' (CH) | 76.6 |
| 3'' (CH) | 76.5 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 76.9 |
| 6'' (CH2) | 61.6 |
| 1''' (CH) | 102.4 |
| 2''' (CH) | 72.4 |
| 3''' (CH) | 72.8 |
| 4''' (CH) | 74.3 |
| 5''' (CH) | 69.4 |
| 6''' (CH3) | 19 |
| 1'''' (CH) | 102.6 |
| 2'''' (CH) | 75.3 |
| 3'''' (CH) | 78.2 |
| 4'''' (CH) | 72 |
| 5'''' (CH) | 78.3 |
| 6'''' (CH2) | 63.1 |
| 6'a (CH3) | 52.1 |
