Spektraris NMR
3b-hydroxy-4aH-3-dihydrosantamarine-b-D-glucopyranoside
Common Name: 3b-hydroxy-4aH-3-dihydrosantamarine-b-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O9/c1-8-10-4-5-21(3)13(6-11(23)9(2)14(21)18(10)30-19(8)27)29-20-17(26)16(25)15(24)12(7-22)28-20/h9-18,20,22-26H,1,4-7H2,2-3H3/t9-,10-,11-,12+,13+,14+,15+,16-,17+,18-,20-,21-/m0/s1
InChIKey: InChIKey=CEDACXINXNXTDF-PNTLOSRKSA-N
Formula: C21H32O9
Molecular Weight: 428.474202
Exact Mass: 428.204633
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zidorn, C., Ellmerer-Muller, E.P., Stuppner, H. Phytochemistry (1999) 51, 991-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) | 84 |
| 2 (CH2) | 31.7 |
| 3 (CH) | 71.5 |
| 4 (CH) | 35.5 |
| 5 (CH) | 49.3 |
| 6 (CH) | 81.6 |
| 7 (CH) | 52.1 |
| 8 (CH2) | 22.5 |
| 9 (CH2) | 40.7 |
| 10 (C) | 42 |
| 11 (C) | 141.9 |
| 12 (C) | 172.9 |
| 13 (CH2) | 117.1 |
| 14 (CH3) | 16.3 |
| 15 (CH3) | 9.3 |
| 1' (CH) | 101.8 |
| 2' (CH) | 75 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.9 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 63 |
