Spektraris NMR
2beta-Hydroxy-3beta-[[2-O,4-O-di-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
![2beta-Hydroxy-3beta-[[2-O,4-O-di-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid](/nmr/static/nmr/svg/3707.svg)
Common Name: 2beta-Hydroxy-3beta-[[2-O,4-O-di-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
Synonyms: 2beta-Hydroxy-3beta-[[2-O,4-O-di-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C48H78O19/c1-43(2)12-14-48(42(60)61)15-13-46(6)21(22(48)16-43)8-9-28-45(5)17-23(52)38(44(3,4)27(45)10-11-47(28,46)7)67-41-37(66-40-34(58)32(56)30(54)25(19-50)63-40)35(59)36(26(20-51)64-41)65-39-33(57)31(55)29(53)24(18-49)62-39/h8,22-41,49-59H,9-20H2,1-7H3,(H,60,61)/t22-,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=ZRBWOBGUXQSVCZ-CHLRLWSGSA-N
Formula: C48H78O19
Molecular Weight: 959.123395
Exact Mass: 958.51373
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) | 89.6 |
| 4 (C) | 38.8 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.3 |
| 8 (C) | 39.8 |
| 9 (CH) | 48.4 |
| 10 (C) | 37 |
| 11 (CH2) | 23.9 |
| 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) | 29.6 |
| 24 (CH3) | 17.4 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 26.2 |
| 28 (C) | 180.2 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.8 |
| 1' (CH) | 105.4 |
| 2' (CH) | 80.6 |
| 3' (CH) | 74.8 |
| 4' (CH) | 81.3 |
| 5' (CH) | 77.1 |
| 6' (CH2) | 62.7 |
| 1'' (CH) | 104.9 |
| 2'' (CH) | 76.4 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 62.3 |
| 1''' (CH) | 104.3 |
| 2''' (CH) | 76.1 |
| 3''' (CH) | 78.3 |
| 4''' (CH) | 71.4 |
| 5''' (CH) | 77.8 |
| 6''' (CH2) | 61.8 |
