4,5α-Epoxy-7α,5,6,8β(H)-germacr-1(10),11(13)-dien-8α-(3'-oxo-2',5'-dihydrofuran-3'-carboxylyl)-12,6-olide

4,5α-Epoxy-7α,5,6,8β(H)-germacr-1(10),11(13)-dien-8α-(3'-oxo-2',5'-dihydrofuran-3'-carboxylyl)-12,6-olide

Common Name: 4,5α-Epoxy-7α,5,6,8β(H)-germacr-1(10),11(13)-dien-8α-(3'-oxo-2',5'-dihydrofuran-3'-carboxylyl)-12,6-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H22O7/c1-10-5-4-6-20(3)17(27-20)16-15(11(2)18(22)26-16)13(7-10)25-19(23)12-8-14(21)24-9-12/h5,8,13,15-17H,2,4,6-7,9H2,1,3H3/b10-5+/t13-,15+,16-,17-,20+/m0/s1

InChIKey: InChIKey=KNLRJYTZLFUWPY-MQXFPPTBSA-N

Formula: C20H22O7

Molecular Weight: 374.385249

Exact Mass: 374.136553

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Suleimenov, E.M., Raldugin, V.A., Shakirov, M.M., Adekenov, S.M. Chem Nat Compd (2005) 41, 144-5

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 (CH) 128.16
2 (CH2) 24.25
3 (CH2) 35.72
4 (C) 60.87
5 (CH) 66.31
6 (CH) 79.89
7 (CH) 49.39
8 (CH) 74.23
9 (CH2) 47.02
10 (C) 128.64
11 (C) 133.49
12 (C) 171.06
13 (CH2) 125.5
14 (CH3) 18.25
15 (CH3) 17.14
8a (C) 153.62
8b (C) 160.18
8c (CH) 126.75
8d (C) 168.26
8e (CH2) 70.26