Common Name: Sweroside aglucone-1-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H14O5/c1-3-8-9-4-5-15-11(14)10(9)6-16-12(8)17-7(2)13/h3,6,8-9,12H,1,4-5H2,2H3/t8-,9-,12+/m0/s1
InChIKey: InChIKey=GDKIXQMXZPJDGT-HOTUBEGUSA-N
Formula: C12H14O5
Molecular Weight: 238.237026
Exact Mass: 238.084124
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Horn, M.M., Drewes, S.E., Brown, N.J., Munro, O.Q., Meyer, J.J., Mathekga, A.D. Phytochemistry (2001) 57, 51-6
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)
Position | PPM |
---|---|
1 (CH) | 93.1 |
3 (CH) | 154.1 |
4 (C) | 104.4 |
5 (CH) | 34 |
6 (CH2) | 27.2 |
7 (CH2) | 68.1 |
8 (CH) | 132.6 |
9 (CH) | 46.2 |
10 (CH2) | 121.4 |
11 (C) | 164.7 |
1a (C) | 169.1 |
1b (CH3) | 20.7 |