Spektraris NMR
Sammangaoside C
Common Name: Sammangaoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O20/c28-4-8-3-12(32)27(1-2-41-23(13(8)27)46-25-20(39)18(37)15(34)10(6-30)43-25)47-26-21(40)22(16(35)11(7-31)44-26)45-24-19(38)17(36)14(33)9(5-29)42-24/h1-3,9-26,28-40H,4-7H2/t9-,10-,11-,12-,13+,14-,15-,16-,17+,18+,19-,20-,21-,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey: InChIKey=MZZDDHFFWNQNSE-ZSXGMOSHSA-N
Formula: C27H42O20
Molecular Weight: 686.611479
Exact Mass: 686.226944
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 : 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) | 93.8 |
| 3 (CH) | 143.4 |
| 4 (CH) | 105 |
| 5 (C) | 79.8 |
| 6 (CH) | 79.6 |
| 7 (CH) | 128 |
| 8 (C) | 147.6 |
| 9 (CH) | 51.4 |
| 10 (CH2) | 60.9 |
| 1' (CH) | 98 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.6 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 99.3 |
| 2'' (CH) | 74.4 |
| 3'' (CH) | 88.3 |
| 4'' (CH) | 69.3 |
| 5'' (CH) | 77.8 |
| 6'' (CH2) | 62 |
| 1''' (CH) | 105.2 |
| 2''' (CH) | 75.5 |
| 3''' (CH) | 78.5 |
| 4''' (CH) | 71.7 |
| 5''' (CH) | 77.8 |
| 6''' (CH2) | 62.6 |
