Botryendial

Botryendial

Common Name: Botryendial

Synonyms: Botryendial

CAS Registry Number:

InChI: InChI=1S/C17H24O4/c1-10-6-13(21-11(2)20)15-14(12(10)7-18)17(5,9-19)8-16(15,3)4/h7,9-10,13,15H,6,8H2,1-5H3/t10-,13+,15-,17-/m1/s1

InChIKey: InChIKey=QWZKEROSOALLJP-BYLNDYCFSA-N

Formula: C17H24O4

Molecular Weight: 292.370708

Exact Mass: 292.167459

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Collado, I.G., Aleu, J., Hernandez-Galan, R., Duran-Patron, R., Curr Org Chem (2000) 4, 1261-86

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 (C) 138.2
2 (CH) 29.3
3 (CH2) 37.1
4 (CH) 70.5
5 (CH) 58.8
6 (C) 40
7 (CH2) 51.1
8 (C) 68
9 (C) 161.2
10 (CH) 191.4
11 (CH3) 20.5
12 (CH3) 29.7
13 (CH3) 23.7
14 (CH3) 29.8
15 (CH) 198.4
4a (C) 170.6
4b (CH3) 21.3