Spektraris NMR
23-Galloylarjunolic acid
Common Name: 23-Galloylarjunolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H52O9/c1-32(2)11-13-37(31(44)45)14-12-35(5)21(22(37)17-32)7-8-27-33(3)18-25(40)29(42)34(4,26(33)9-10-36(27,35)6)19-46-30(43)20-15-23(38)28(41)24(39)16-20/h7,15-16,22,25-27,29,38-42H,8-14,17-19H2,1-6H3,(H,44,45)/t22-,25+,26+,27+,29-,33-,34-,35+,36+,37-/m0/s1
InChIKey: InChIKey=LXTNFTYLTNCGNG-RWZVSUPFSA-N
Formula: C37H52O9
Molecular Weight: 640.804792
Exact Mass: 640.361133
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Conrad, J., Vogler, B., Klaiber, I., Roos, G., Walter, U., Kraus, W. Phytochemistry (1988) 48, 647-50
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) | 41.7 |
| 2 (CH) | 68.3 |
| 3 (CH) | 71.6 |
| 4 (C) | 43.2 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 32.9 |
| 8 (C) | 39.7 |
| 9 (CH) | 48.5 |
| 10 (C) | 38.1 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.1 |
| 13 (C) | 144.8 |
| 14 (C) | 42.1 |
| 15 (CH2) | 28 |
| 16 (CH2) | 23.6 |
| 17 (C) | 46.6 |
| 18 (CH) | 42 |
| 19 (CH2) | 46.3 |
| 20 (C) | 30.8 |
| 21 (CH2) | 34.1 |
| 22 (CH2) | 33.1 |
| 23 (CH2) | 66.7 |
| 24 (CH3) | 13.9 |
| 25 (CH3) | 17.4 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 25.8 |
| 28 (C) | 180.1 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.7 |
| 23a (C) | 167 |
| 23b (C) | 121.4 |
| 23c (CH) | 110 |
| 23d (C) | 147.6 |
| 23e (C) | 140.9 |
| 23f (C) | 147.6 |
| 23g (CH) | 110 |
