(1R,3R,5E,10S)-10-Hydroxy-3-isopropyl-6,10-dimethyl-4,9-dioxo-5-cyclodecen-1-yl 2,3-dimethyl-2-oxiranecarboxylate

(1R,3R,5E,10S)-10-Hydroxy-3-isopropyl-6,10-dimethyl-4,9-dioxo-5-cyclodecen-1-yl 2,3-dimethyl-2-oxiranecarboxylate

Common Name: (1R,3R,5E,10S)-10-Hydroxy-3-isopropyl-6,10-dimethyl-4,9-dioxo-5-cyclodecen-1-yl 2,3-dimethyl-2-oxiranecarboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O6/c1-11(2)14-10-17(25-18(23)20(6)13(4)26-20)19(5,24)16(22)8-7-12(3)9-15(14)21/h9,11,13-14,17,24H,7-8,10H2,1-6H3/b12-9+/t13?,14-,17-,19-,20?/m1/s1

InChIKey: InChIKey=XTTHQGPLWSYZEC-KRNAFBMMSA-N

Formula: C20H30O6

Molecular Weight: 366.44937

Exact Mass: 366.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Osaki, N., Koyano, T., Kowithayakorn, T., Hayashi, M., Komiyama, K., Ishibashi, M. J Nat Prod (2005) 68, 447-9

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 (C) 213.5
2 (CH2) 34.4
3 (CH2) 36.7
4 (C) 149.2
5 (CH) 127.5
6 (C) 204.6
7 (CH) 55.3
8 (CH2) 28.8
9 (CH) 74
10 (C) 82.5
11 (CH) 31
12 (CH3) 20.5
13 (CH3) 19.5
14 (CH3) 17
15 (CH3) 17.8
16 (C) 171.1
17 (C) 60
18 (CH) 59.9
19 (CH3) 14
20 (CH3) 19.2