Spektraris NMR
22beta,24-Dihydroxy-3beta-[[2-O-[2-O-(alpha-L-rhamnopyranosyl)-beta-D-xylopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]olean-12-en-11-one
![22beta,24-Dihydroxy-3beta-[[2-O-[2-O-(alpha-L-rhamnopyranosyl)-beta-D-xylopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]olean-12-en-11-one](/nmr/static/nmr/svg/19901.svg)
Common Name: 22beta,24-Dihydroxy-3beta-[[2-O-[2-O-(alpha-L-rhamnopyranosyl)-beta-D-xylopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]olean-12-en-11-one
Synonyms: 22beta,24-Dihydroxy-3beta-[[2-O-[2-O-(alpha-L-rhamnopyranosyl)-beta-D-xylopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]olean-12-en-11-one
CAS Registry Number:
InChI: InChI=1S/C48H76O18/c1-21-29(53)31(55)34(58)40(62-21)65-36-30(54)25(51)19-61-41(36)66-37-33(57)32(56)35(39(59)60-9)64-42(37)63-28-11-12-45(5)26(46(28,6)20-49)10-13-48(8)38(45)24(50)16-22-23-17-43(2,3)18-27(52)44(23,4)14-15-47(22,48)7/h16,21,23,25-38,40-42,49,51-58H,10-15,17-20H2,1-9H3/t21-,23-,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
InChIKey: InChIKey=UPTGDFKSSNOTSC-XYXHPTTLSA-N
Formula: C48H76O18
Molecular Weight: 941.108109
Exact Mass: 940.503166
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) | 39.5 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 91 |
| 4 (C) | 44.7 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 33.2 |
| 8 (C) | 44 |
| 9 (CH) | 61.8 |
| 10 (C) | 37 |
| 11 (C) | 199.4 |
| 12 (CH) | 128.4 |
| 13 (C) | 169.3 |
| 14 (C) | 45.4 |
| 15 (CH2) | 26.7 |
| 16 (CH2) | 27.9 |
| 17 (C) | 37.8 |
| 18 (CH) | 45.5 |
| 19 (CH2) | 45.2 |
| 20 (C) | 30.9 |
| 21 (CH2) | 42 |
| 22 (CH) | 74.9 |
| 23 (CH3) | 23 |
| 24 (CH2) | 62.8 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 18.7 |
| 27 (CH3) | 23.1 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 21.7 |
| 1' (CH) | 105.5 |
| 2' (CH) | 78.6 |
| 3' (CH) | 76.8 |
| 4' (CH) | 73.6 |
| 5' (CH) | 77.5 |
| 6' (C) | 170.3 |
| 1'' (CH) | 102.6 |
| 2'' (CH) | 79.5 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 70.9 |
| 5'' (CH2) | 66.9 |
| 1''' (CH) | 102.4 |
| 2''' (CH) | 72.4 |
| 3''' (CH) | 72.8 |
| 4''' (CH) | 74.3 |
| 5''' (CH) | 69.5 |
| 6''' (CH3) | 19 |
| 6'a (CH3) | 52.1 |
