Spektraris NMR
228_Glucopyranosyl ester of α-3β-Dihydroxyolean-12-ene-24,28-dioic acid
Common Name: 228_Glucopyranosyl ester of α-3β-Dihydroxyolean-12-ene-24,28-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H56O11/c1-31(2)11-13-36(30(45)47-28-26(41)25(40)24(39)21(17-37)46-28)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(42)35(6,29(43)44)23(32)9-10-34(22,33)5/h7,19-28,37-42H,8-17H2,1-6H3,(H,43,44)/t19-,20+,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34+,35+,36-/m0/s1
InChIKey: InChIKey=GROAMHGOGCOGOE-RZROQSMZSA-N
Formula: C36H56O11
Molecular Weight: 664.824629
Exact Mass: 664.382263
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Lee, M.H., Han, Y.N. Planta Med (2003) 69, 327-31
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) | 48 |
| 2 (CH) | 68.2 |
| 3 (CH) | 83.9 |
| 4 (C) | 49.7 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 33.1 |
| 8 (C) | 39.6 |
| 9 (CH) | 47.3 |
| 10 (C) | 38.7 |
| 11 (CH2) | 23.1 |
| 12 (CH) | 122.6 |
| 13 (C) | 143.8 |
| 14 (C) | 42 |
| 15 (CH2) | 27.9 |
| 16 (CH2) | 23.8 |
| 17 (C) | 46.7 |
| 18 (CH) | 41.5 |
| 19 (CH2) | 45.8 |
| 20 (C) | 30.5 |
| 21 (CH2) | 33.7 |
| 22 (CH2) | 32.2 |
| 23 (CH3) | 25.7 |
| 24 (C) | 180.3 |
| 25 (CH3) | 15 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 24.8 |
| 28 (C) | 176.1 |
| 29 (CH3) | 32.8 |
| 30 (CH3) | 23.4 |
| 1' (CH) | 95.5 |
| 2' (CH) | 73.8 |
| 3' (CH) | 78.6 |
| 4' (CH) | 70.8 |
| 5' (CH) | 79.1 |
| 6' (CH2) | 61.9 |
