6-Epiferutinin α-epoxide

6-Epiferutinin α-epoxide

Common Name: 6-Epiferutinin α-epoxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O5/c1-13(2)22(25)10-9-20(3)12-17-21(4,27-17)11-16(18(20)22)26-19(24)14-5-7-15(23)8-6-14/h5-8,13,16-18,23,25H,9-12H2,1-4H3/t16-,17+,18-,20-,21-,22-/m1/s1

InChIKey: InChIKey=NZRACXOBLXBSFK-RSBIIAMVSA-N

Formula: C22H30O5

Molecular Weight: 374.471437

Exact Mass: 374.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Appendino, G., Spagliardi, P., Sterner, O., Milligan, S. J Nat Prod (2004) 67, 1557-64

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) 44.8
2 (CH2) 43.7
3 (CH2) 31.7
4 (C) 86.7
5 (CH) 61
6 (CH) 70.7
7 (CH2) 40.1
8 (C) 58.6
9 (CH) 59.3
10 (CH2) 39.5
11 (CH) 35.7
12 (CH3) 18.4
13 (CH3) 17.1
14 (CH3) 27.4
15 (CH3) 25.9
1' (C) 121.1
2' (CH) 131.7
3' (CH) 115.5
4' (C) 161.2
5' (CH) 115.5
6' (CH) 131.7
7' (C) 165.9