Spektraris NMR
Sammangaoside A
Common Name: Sammangaoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11-,12+,13+,14-,15+,16+,18+,19-/m0/s1
InChIKey: InChIKey=RIUMIKAUMHZQMP-DBCWZAFBSA-N
Formula: C19H32O8
Molecular Weight: 388.453326
Exact Mass: 388.209718
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Kasai, R., Chumsri, P., Hiraga, Y., Yamasaki, K. Phytochemistry (2001) 58, 333-6
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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 (C) | 35.9 |
| 2 (CH2) | 47.9 |
| 3 (CH) | 64.5 |
| 4 (CH2) | 41.6 |
| 5 (C) | 68.1 |
| 6 (C) | 71.1 |
| 7 (CH) | 129.6 |
| 8 (CH) | 136 |
| 9 (CH) | 74.7 |
| 10 (CH3) | 22.4 |
| 11 (CH3) | 30.1 |
| 12 (CH3) | 25 |
| 13 (CH3) | 20.7 |
| 1' (CH) | 101.3 |
| 2' (CH) | 75 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.8 |
