Spektraris NMR
3-O-β-D-Glucopyranosylhelioscopinolide A
Common Name: 3-O-β-D-Glucopyranosylhelioscopinolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O8/c1-12-14-9-13-5-6-18-25(2,3)19(34-24-22(30)21(29)20(28)17(11-27)33-24)7-8-26(18,4)15(13)10-16(14)32-23(12)31/h9,15-22,24,27-30H,5-8,10-11H2,1-4H3/t15-,16-,17-,18-,19-,20-,21+,22-,24+,26+/m1/s1
InChIKey: InChIKey=OZPRFYYITGHMLQ-LKODFZOFSA-N
Formula: C26H38O8
Molecular Weight: 478.576121
Exact Mass: 478.256668
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yu, H.W., Li, B.G., Li, G.Y., Li, C.S., Fang, D.M., Zhang, G.L. Chem Pharm Bull (2007) 55, 1744-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 36.8 |
| 2 (CH2) | 23.1 |
| 3 (CH) | 84 |
| 4 (C) | 38.1 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 23.1 |
| 7 (CH2) | 36.4 |
| 8 (C) | 152.8 |
| 9 (CH) | 51.4 |
| 10 (C) | 40.9 |
| 11 (CH2) | 27.2 |
| 12 (CH) | 76.3 |
| 13 (C) | 157.5 |
| 14 (CH) | 113.4 |
| 15 (C) | 115.4 |
| 16 (C) | 176.2 |
| 17 (CH3) | 6.6 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 15.7 |
| 20 (CH3) | 15.7 |
| 1' (CH) | 100.5 |
| 2' (CH) | 73.7 |
| 3' (CH) | 76.8 |
| 4' (CH) | 70.4 |
| 5' (CH) | 76.4 |
| 6' (CH2) | 61.5 |
