Spektraris NMR
21beta,22beta,24-Trihydroxyoleana-12-ene-3beta-yl 2-O-[2-O,3-O-bis(alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranosiduronic acid
![21beta,22beta,24-Trihydroxyoleana-12-ene-3beta-yl 2-O-[2-O,3-O-bis(alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranosiduronic acid](/nmr/static/nmr/svg/3498.svg)
Common Name: 21beta,22beta,24-Trihydroxyoleana-12-ene-3beta-yl 2-O-[2-O,3-O-bis(alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranosiduronic acid
Synonyms: 21beta,22beta,24-Trihydroxyoleana-12-ene-3beta-yl 2-O-[2-O,3-O-bis(alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranosiduronic acid
CAS Registry Number:
InChI: InChI=1S/C54H88O23/c1-21-29(57)32(60)36(64)45(70-21)74-38-31(59)25(19-55)72-48(41(38)77-46-37(65)33(61)30(58)22(2)71-46)76-40-35(63)34(62)39(44(68)69)75-47(40)73-28-13-14-51(6)26(52(28,7)20-56)12-15-54(9)27(51)11-10-23-24-18-49(3,4)42(66)43(67)50(24,5)16-17-53(23,54)8/h10,21-22,24-43,45-48,55-67H,11-20H2,1-9H3,(H,68,69)/t21-,22-,24-,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=LICVUYJOGINHJA-WSQVHCNNSA-N
Formula: C54H88O23
Molecular Weight: 1105.264838
Exact Mass: 1104.571639
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Woldemichael, G.M., Wink, M. Phytochemistry (2002) 60, 323-7
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) | 38.5 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 91.5 |
| 4 (C) | 43.6 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.8 |
| 8 (C) | 40.1 |
| 9 (CH) | 47.6 |
| 10 (C) | 36.6 |
| 11 (CH2) | 24 |
| 12 (CH) | 122.5 |
| 13 (C) | 144.3 |
| 14 (C) | 42 |
| 15 (CH2) | 26.5 |
| 16 (CH2) | 27.4 |
| 17 (C) | 39.3 |
| 18 (CH) | 43.4 |
| 19 (CH2) | 47 |
| 20 (C) | 36.3 |
| 21 (CH) | 74.6 |
| 22 (CH) | 79.3 |
| 23 (CH3) | 22.7 |
| 24 (CH2) | 63.3 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 26.6 |
| 28 (CH3) | 22 |
| 29 (CH3) | 31 |
| 30 (CH3) | 21.7 |
| 1' (CH) | 105.5 |
| 2' (CH) | 77.8 |
| 3' (CH) | 78.5 |
| 4' (CH) | 73.9 |
| 5' (CH) | 76.7 |
| 6' (C) | 172.8 |
| 1'' (CH) | 102.1 |
| 2'' (CH) | 78 |
| 3'' (CH) | 79.3 |
| 4'' (CH) | 78 |
| 5'' (CH) | 76.7 |
| 6'' (CH2) | 61.5 |
| 1''' (CH) | 102.7 |
| 2''' (CH) | 72.3 |
| 3''' (CH) | 72.7 |
| 4''' (CH) | 74.3 |
| 5''' (CH) | 69.3 |
| 6''' (CH3) | 19.2 |
| 1'''' (CH) | 102.3 |
| 2'''' (CH) | 72.4 |
| 3'''' (CH) | 72.8 |
| 4'''' (CH) | 74.3 |
| 5'''' (CH) | 69.3 |
| 6'''' (CH3) | 19.2 |
