Spektraris NMR
18-Hydroxy-3-O-β-D-glucopyranosylhelioscopinolide A
Common Name: 18-Hydroxy-3-O-β-D-glucopyranosylhelioscopinolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O9/c1-12-14-8-13-4-5-18-25(2,15(13)9-16(14)33-23(12)32)7-6-19(26(18,3)11-28)35-24-22(31)21(30)20(29)17(10-27)34-24/h8,15-22,24,27-31H,4-7,9-11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21+,22-,24+,25+,26-/m1/s1
InChIKey: InChIKey=QDBAGRAEYGIFQC-YROIBDFMSA-N
Formula: C26H38O9
Molecular Weight: 494.575526
Exact Mass: 494.251583
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) | 22.7 |
| 3 (CH) | 78.3 |
| 4 (C) | 42.4 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 23.2 |
| 7 (CH2) | 36.1 |
| 8 (C) | 152.8 |
| 9 (CH) | 51.5 |
| 10 (C) | 40.7 |
| 11 (CH2) | 27.3 |
| 12 (CH) | 76.4 |
| 13 (C) | 157.5 |
| 14 (CH) | 113.4 |
| 15 (C) | 115.4 |
| 16 (C) | 176.2 |
| 17 (CH3) | 6.6 |
| 18 (CH2) | 63 |
| 19 (CH3) | 12 |
| 20 (CH3) | 16.3 |
| 1' (CH) | 101.4 |
| 2' (CH) | 73.5 |
| 3' (CH) | 76.8 |
| 4' (CH) | 71.3 |
| 5' (CH) | 76 |
| 6' (CH2) | 62.1 |
