2α,5-epoxy-5,10-dihydroxy-6α-angeloyloxy-9β-(3-methylbutyloxy)-germacran-8α,12-olide

2α,5-epoxy-5,10-dihydroxy-6α-angeloyloxy-9β-(3-methylbutyloxy)-germacran-8α,12-olide

Common Name: 2α,5-epoxy-5,10-dihydroxy-6α-angeloyloxy-9β-(3-methylbutyloxy)-germacran-8α,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H36O9/c1-8-13(4)22(27)33-20-18-15(6)23(28)32-19(18)21(31-17(26)9-12(2)3)24(7,29)11-16-10-14(5)25(20,30)34-16/h8,12,14,16,18-21,29-30H,6,9-11H2,1-5,7H3/b13-8-/t14-,16+,18+,19+,20-,21-,24+,25-/m0/s1

InChIKey: InChIKey=KVGBHCCJIVKGGD-WJCULLRJSA-N

Formula: C25H36O9

Molecular Weight: 480.548909

Exact Mass: 480.235933

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kim, M.R., Suh, B.R., Kim, J.G., Kim, Y.H., Kim, D.K., Moon, D.C. Phytochemistry (1999) 52, 113-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH2) 43.8
2 (CH) 73.9
3 (CH2) 37.4
4 (CH) 36.6
5 (C) 106.1
6 (CH) 75.6
7 (CH) 45
8 (CH) 77.4
9 (CH) 77.9
10 (C) 72
11 (C) 133.1
12 (C) 168.4
13 (CH2) 127.2
14 (CH3) 30.8
15 (CH3) 14.4
6a (C) 166.4
6b (C) 126.2
6c (CH) 141.5
6d (CH3) 15.8
6ba (CH3) 20.3
9a (C) 172.5
9b (CH2) 43
9c (CH) 25.3
9d (CH3) 22.3
9ca (CH3) 22.3