Botrydioic Acid

Botrydioic Acid

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)

Carbon NMR Peaks

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