Spektraris NMR
3beta-[[2-O-[2-O-(alpha-L-Rhamnopyranosyl)-beta-D-xylopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]-22beta-[(beta-D-glucopyranosyl)oxy]olean-12-en-24-ol
![3beta-[[2-O-[2-O-(alpha-L-Rhamnopyranosyl)-beta-D-xylopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]-22beta-[(beta-D-glucopyranosyl)oxy]olean-12-en-24-ol](/nmr/static/nmr/svg/19903.svg)
Common Name: 3beta-[[2-O-[2-O-(alpha-L-Rhamnopyranosyl)-beta-D-xylopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]-22beta-[(beta-D-glucopyranosyl)oxy]olean-12-en-24-ol
Synonyms: 3beta-[[2-O-[2-O-(alpha-L-Rhamnopyranosyl)-beta-D-xylopyranosyl]-6-O-methyl-beta-D-glucurono pyranosyl]oxy]-22beta-[(beta-D-glucopyranosyl)oxy]olean-12-en-24-ol
CAS Registry Number:
InChI: InChI=1S/C54H88O22/c1-23-32(58)35(61)39(65)45(70-23)75-42-33(59)26(57)21-69-47(42)76-43-38(64)37(63)41(44(67)68-9)74-48(43)72-30-13-14-51(5)28(52(30,6)22-56)12-15-54(8)29(51)11-10-24-25-18-49(2,3)19-31(50(25,4)16-17-53(24,54)7)73-46-40(66)36(62)34(60)27(20-55)71-46/h10,23,25-43,45-48,55-66H,11-22H2,1-9H3/t23-,25-,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,45-,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1
InChIKey: InChIKey=CVEAWKAMZKJNOY-ZITARFHLSA-N
Formula: C54H88O22
Molecular Weight: 1089.265433
Exact Mass: 1088.576725
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) | 38.8 |
| 2 (CH2) | 25.9 |
| 3 (CH) | 91.1 |
| 4 (C) | 44.3 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.3 |
| 8 (C) | 39.7 |
| 9 (CH) | 47.7 |
| 10 (C) | 36.5 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 122.5 |
| 13 (C) | 144.3 |
| 14 (C) | 42.2 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 28.6 |
| 17 (C) | 37.4 |
| 18 (CH) | 45.8 |
| 19 (CH2) | 46.4 |
| 20 (C) | 30.5 |
| 21 (CH2) | 37.4 |
| 22 (CH) | 82.5 |
| 23 (CH3) | 22.9 |
| 24 (CH2) | 63 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 25.2 |
| 28 (CH3) | 28.6 |
| 29 (CH3) | 32.3 |
| 30 (CH3) | 21 |
| 1' (CH) | 105.4 |
| 2' (CH) | 78.8 |
| 3' (CH) | 76.8 |
| 4' (CH) | 73.6 |
| 5' (CH) | 77.5 |
| 6' (C) | 170.4 |
| 1'' (CH) | 102.5 |
| 2'' (CH) | 79.4 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 70.8 |
| 5'' (CH2) | 66.8 |
| 1''' (CH) | 102.3 |
| 2''' (CH) | 72.4 |
| 3''' (CH) | 72.7 |
| 4''' (CH) | 74.3 |
| 5''' (CH) | 69.4 |
| 6''' (CH3) | 18.9 |
| 1'''' (CH) | 102.6 |
| 2'''' (CH) | 75.2 |
| 3'''' (CH) | 78.2 |
| 4'''' (CH) | 71.9 |
| 5'''' (CH) | 78.5 |
| 6'''' (CH2) | 62.8 |
| 6'a (CH3) | 52 |
