Common Name: 9-Decene-4,6-diyne-1,3,8-triol, (3R,8R)-
Synonyms: 9-Decene-4,6-diyne-1,3,8-triol, (3R,8R)-
CAS Registry Number:
InChI: InChI=1S/C10H12O3/c1-2-9(12)5-3-4-6-10(13)7-8-11/h2,9-13H,1,7-8H2/t9-,10+/m1/s1
InChIKey: InChIKey=HCTNZAAVSRVKLJ-ZJUUUORDSA-N
Formula: C10H12O3
Molecular Weight: 180.200863
Exact Mass: 180.078644
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Stavri, M., Mathew, K.T., Gibson, T., Williamson, R.T., Gibbons, S. J Nat Prod (2004) 67, 892-4
Species:
Notes: Family : Aliphatics, Type : Diynes; 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 (CH2) | 59.1 |
2 (CH2) | 41.3 |
3 (CH) | 60.2 |
4 (C) | 82 |
5 (C) | 68.9 |
6 (C) | 70.1 |
7 (C) | 79.5 |
8 (CH) | 63.8 |
9 (CH) | 138.1 |
10 (CH2) | 116.1 |