Spektraris NMR
Scrolepidoside
Common Name: Scrolepidoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O16/c1-14-29(47-22(35)7-5-15-4-6-18(41-2)20(10-15)42-3)26(38)28(40)31(44-14)45-19-11-16(12-33)23-17(19)8-9-43-30(23)48-32-27(39)25(37)24(36)21(13-34)46-32/h4-11,14,17,19,21,23-34,36-40H,12-13H2,1-3H3/b7-5+/t14-,17-,19+,21+,23+,24+,25-,26-,27+,28+,29-,30-,31-,32-/m0/s1
InChIKey: InChIKey=DZMZTNAKFQHZDC-BQYBMECYSA-N
Formula: C32H42O16
Molecular Weight: 682.667539
Exact Mass: 682.247285
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Tasdemir, D., Guner, N.D., Perozzo, R., Brun, R., Donmez, A.A., Calis, I., Ruedi, P. Phytochemistry (2005) 66, 355-62
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) | 98.1 |
| 3 (CH) | 142.1 |
| 4 (CH) | 105.6 |
| 5 (CH) | 44.4 |
| 6 (CH) | 89.4 |
| 7 (CH) | 127.3 |
| 8 (C) | 149.8 |
| 9 (CH) | 48.3 |
| 10 (CH2) | 61.6 |
| 1' (CH) | 100.1 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 101.4 |
| 2'' (CH) | 70.5 |
| 3'' (CH) | 72.8 |
| 4'' (CH) | 75.7 |
| 5'' (CH) | 68.5 |
| 6'' (CH3) | 18.1 |
| 4''a (C) | 168.8 |
| 4''b (CH) | 116.6 |
| 4''c (CH) | 146.9 |
| 4''d (C) | 128.9 |
| 4''e (CH) | 111.8 |
| 4''f (C) | 150.9 |
| 4''g (C) | 153 |
| 4''h (CH) | 112.8 |
| 4''i (CH) | 124.2 |
| 4''j (CH3) | 56.6 |
| 4''k (CH3) | 56.7 |
