Spektraris NMR
Stereospermoside
Common Name: Stereospermoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O13/c25-9-14-17(29)18(30)19(31)23(35-14)37-22-16-13(7-8-34-22)20(21(32)24(16,33)10-26)36-15(28)6-3-11-1-4-12(27)5-2-11/h1-8,13-14,16-23,25-27,29-33H,9-10H2/b6-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1
InChIKey: InChIKey=CISPZGJMMIWQCY-WVSQEAJASA-N
Formula: C24H30O13
Molecular Weight: 526.488148
Exact Mass: 526.168641
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Noiarsa, P., Otsuka, H., Ruchirawat, S. Phytochemistry (2006) 67, 516-20
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 |
| 3 (CH) | 140.8 |
| 4 (CH) | 106 |
| 5 (CH) | 36.5 |
| 6 (CH) | 85.8 |
| 7 (CH) | 84.3 |
| 8 (C) | 80.7 |
| 9 (CH) | 48.3 |
| 10 (CH2) | 64.3 |
| 1' (CH) | 99.5 |
| 2' (CH) | 74.7 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.8 |
| 6a (C) | 169.1 |
| 6b (CH) | 115 |
| 6c (CH) | 146.9 |
| 6d (C) | 127.1 |
| 6e (CH) | 131.2 |
| 6f (CH) | 116.8 |
| 6g (C) | 161.3 |
| 6h (CH) | 116.8 |
| 6i (CH) | 131.2 |
