2-Epibotcinolide

2-Epibotcinolide

Common Name: 2-Epibotcinolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O8/c1-6-7-8-14(21)9-10-15(22)28-16-11(2)17(23)20(5,26)18(24)12(3)19(25)27-13(16)4/h9-14,16-18,21,23-24,26H,6-8H2,1-5H3/b10-9+/t11-,12-,13+,14?,16+,17+,18-,20-/m1/s1

InChIKey: InChIKey=YFWCDPYMHQAWJE-MEPXGHNPSA-N

Formula: C20H34O8

Molecular Weight: 402.479943

Exact Mass: 402.225368

NMR Solvent: CD3OD

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) 173.2
2 (CH) 38.4
3 (CH) 74.1
4 (C) 76.3
5 (CH) 78.5
6 (CH) 35.6
7 (CH) 77.2
8 (CH) 68.5
9 (C) 170.1
10 (CH) 119.2
11 (CH) 151.7
12 (CH) 71.1
13 (CH2) 36.4
14 (CH2) 27.3
15 (CH2) 22.5
16 (CH3) 13.9
17 (CH3) 10.3
18 (CH3) 10.9
19 (CH3) 13.7
20 (CH3) 18.2