Common Name: Botrydioic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O7/c1-8-6-10(24-9(2)18)12-15(3,4)7-16(5,14(21)22)17(12,23)11(8)13(19)20/h8,10-12,23H,6-7H2,1-5H3,(H,19,20)(H,21,22)/t8-,10+,11-,12+,16-,17-/m1/s1
InChIKey: InChIKey=SBTMGXIFRALHDM-VRUKSGGOSA-N
Formula: C17H26O7
Molecular Weight: 342.384804
Exact Mass: 342.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reino, J.L., Duran-Patron, R., Segura, I., Hernandez-Galan, R., Riese, H.H., Collado, I.G. J Nat Prod (2003) 66, 344-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 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) | 61.2 |
2 (CH) | 29.5 |
3 (CH2) | 38 |
4 (CH) | 72.9 |
5 (CH) | 60.9 |
6 (C) | 39.1 |
7 (CH2) | 55.2 |
8 (C) | 54.7 |
9 (C) | 87.7 |
10 (C) | 180.7 |
11 (CH3) | 20.2 |
12 (CH3) | 35.7 |
13 (CH3) | 27.3 |
14 (CH3) | 21 |
15 (C) | 185.6 |
4a (C) | 170.5 |
4b (CH3) | 21.4 |