8α-(2',3'-Epoxy-2'-methylbutyryloxy)-9β-hydroxygerhydroxygermacra-4E,1(10)E-dien-6β,12-olide

8α-(2',3'-Epoxy-2'-methylbutyryloxy)-9β-hydroxygerhydroxygermacra-4E,1(10)E-dien-6β,12-olide

Common Name: 8α-(2',3'-Epoxy-2'-methylbutyryloxy)-9β-hydroxygerhydroxygermacra-4E,1(10)E-dien-6β,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O6/c1-10-7-6-8-11(2)16(21)17(25-19(23)20(5)13(4)26-20)15-12(3)18(22)24-14(15)9-10/h8-9,13-17,21H,3,6-7H2,1-2,4-5H3/b10-9+,11-8+/t13-,14-,15-,16+,17+,20-/m0/s1

InChIKey: InChIKey=FPOVYDMKICRBQA-JNOXEZSCSA-N

Formula: C20H26O6

Molecular Weight: 362.417607

Exact Mass: 362.172939

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Muller, S., Murillo, R., Castro, V., Brecht, V., Merfort, I. J Nat Prod (2004) 67, 622-30

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) 130.7
2 (CH2) 25
3 (CH2) 38.8
4 (C) 136.4
5 (CH) 123.1
6 (CH) 75.1
7 (CH) 46.4
8 (CH) 74.2
9 (CH) 78.1
10 (C) 138.2
11 (C) 135.7
12 (C) 169
13 (CH2) 126.1
14 (CH3) 19.7
15 (CH3) 17
8a (C) 169
8b (C) 59.8
8c (CH) 60.2
8d (CH3) 14
8e (CH3) 19.2