Spektraris NMR
10-O-trans-p-coumaroylscandoside
Common Name: 10-O-trans-p-coumaroylscandoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O13/c26-8-16-20(30)21(31)22(32)25(37-16)38-24-18-12(7-15(28)19(18)14(10-36-24)23(33)34)9-35-17(29)6-3-11-1-4-13(27)5-2-11/h1-7,10,15-16,18-22,24-28,30-32H,8-9H2,(H,33,34)/b6-3+/t15-,16-,18-,19+,20-,21+,22-,24+,25+/m1/s1
InChIKey: InChIKey=AENHXJZDACLRQM-RCQKOXAXSA-N
Formula: C25H28O13
Molecular Weight: 536.483003
Exact Mass: 536.152991
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, X.Z., Wang, Y.H., Yu, S.S., Fu, G.M., Hu, Y.C., Liu, Y., Fan, L.H. J Nat Prod (2005) 68, 1646-50
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 98.9 |
| 3 (CH) | 152.5 |
| 4 (C) | 111.7 |
| 5 (CH) | 46.3 |
| 6 (CH) | 82.1 |
| 7 (CH) | 133.7 |
| 8 (C) | 140.6 |
| 9 (CH) | 47.2 |
| 10 (CH2) | 62.3 |
| 11 (C) | 173 |
| 1a (CH) | 101 |
| 1b (CH) | 74.8 |
| 1c (CH) | 78.3 |
| 1d (CH) | 71.3 |
| 1e (CH) | 78.8 |
| 1f (CH2) | 62.6 |
| 10a (C) | 167 |
| 10b (CH) | 114.7 |
| 10c (CH) | 145.6 |
| 10d (C) | 125.9 |
| 10e (CH) | 130.8 |
| 10f (CH) | 116.8 |
| 10g (C) | 161.5 |
| 10h (CH) | 116.8 |
| 10i (CH) | 130.8 |
