Spektraris NMR
Pseudolaric acid B-D-Glucoside
Common Name: Pseudolaric acid B-D-Glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O13/c1-15(23(35)40-25-22(34)21(33)20(32)18(14-30)39-25)6-5-10-27(3)19-9-12-28(26(37)42-27)11-7-17(24(36)38-4)8-13-29(19,28)41-16(2)31/h5-7,10,18-22,25,30,32-34H,8-9,11-14H2,1-4H3/b10-5+,15-6+/t18-,19+,20-,21+,22-,25+,27-,28-,29+/m1/s1
InChIKey: InChIKey=UUDZDKPKXAEKLA-YHLOYHKPSA-N
Formula: C29H38O13
Molecular Weight: 594.605354
Exact Mass: 594.231241
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, E., Clark, A.M., Hufford, C.D. J Nat Prod (1995) 58, 57-67
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sphenolobanes; 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) | 31 |
| 2 (CH2) | 20.4 |
| 3 (C) | 134.8 |
| 4 (CH) | 142.2 |
| 5 (CH2) | 28.1 |
| 6 (C) | 55.6 |
| 7 (CH2) | 33.5 |
| 8 (CH2) | 24.6 |
| 9 (CH) | 49.6 |
| 10 (C) | 89.9 |
| 11 (C) | 167.9 |
| 12 (C) | 173 |
| 13 (C) | 83.8 |
| 14 (CH3) | 28.26 |
| 15 (CH) | 145.3 |
| 16 (CH) | 121.3 |
| 17 (CH) | 138.4 |
| 18 (C) | 127.9 |
| 19 (CH3) | 12.6 |
| 20 (C) | 167 |
| 1' (CH) | 96.3 |
| 2' (CH) | 74.2 |
| 3' (CH) | 79.4 |
| 4' (CH) | 70.9 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.1 |
| 10a (C) | 169.6 |
| 10b (CH3) | 21.4 |
| 11a (CH3) | 51.8 |
