Spektraris NMR
(2a,3a,21b)-21-(b-D-Glucopyranosyloxy)-2,3-dihydroxyolean-12-en-28-oic Acid
Common Name: (2a,3a,21b)-21-(b-D-Glucopyranosyloxy)-2,3-dihydroxyolean-12-en-28-oic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O10/c1-31(2)14-19-18-8-9-23-33(5)15-20(38)28(42)32(3,4)22(33)10-11-35(23,7)34(18,6)12-13-36(19,30(43)44)16-24(31)46-29-27(41)26(40)25(39)21(17-37)45-29/h8,19-29,37-42H,9-17H2,1-7H3,(H,43,44)/t19-,20+,21+,22-,23+,24-,25+,26-,27+,28+,29-,33-,34+,35+,36+/m0/s1
InChIKey: InChIKey=IENJZSQSNWZRTA-FSHVZNALSA-N
Formula: C36H58O10
Molecular Weight: 650.841105
Exact Mass: 650.402998
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Niu, X.M., Li, S.H., Zhao, Q.S., Mei, S.X., Lin, Z.W., Sun, H.D., Lu, Y., Wang, C., Zheng, Q.T. Helv Chim Acta (2003) 86, 299-306
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) | 42.7 |
| 2 (CH) | 66.1 |
| 3 (CH) | 79.3 |
| 4 (C) | 38.6 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 33.2 |
| 8 (C) | 39.9 |
| 9 (CH) | 47.9 |
| 10 (C) | 38.8 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.8 |
| 13 (C) | 143.9 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 24.9 |
| 17 (C) | 48.6 |
| 18 (CH) | 41.4 |
| 19 (CH2) | 47.4 |
| 20 (C) | 37 |
| 21 (CH) | 82.9 |
| 22 (CH2) | 40.3 |
| 23 (CH3) | 29.3 |
| 24 (CH3) | 22.2 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 26 |
| 28 (C) | 179 |
| 29 (CH3) | 29.4 |
| 30 (CH3) | 18.4 |
| 1' (CH) | 106.5 |
| 2' (CH) | 75.7 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.9 |
