Botrydial

Botrydial

Common Name: Botrydial

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1

InChIKey: InChIKey=SJFIYVCSGNWVPJ-GKKOWQTJSA-N

Formula: C17H26O5

Molecular Weight: 310.385994

Exact Mass: 310.178024

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 (CH) 66.9
2 (CH) 28
3 (CH2) 38.7
4 (CH) 72.1
5 (CH) 63.4
6 (C) 39.3
7 (CH2) 51.6
8 (C) 58.8
9 (C) 89.6
10 (CH) 204.7
11 (CH3) 20.4
12 (CH3) 35.4
13 (CH3) 27.7
14 (CH3) 19.9
15 (CH) 206.8
4a (C) 170.2
4b (CH3) 21.3