3b,6b,8a-Triacetoxy-4b,5a-epoxy-1-oxogermacr-10(14)-ene

3b,6b,8a-Triacetoxy-4b,5a-epoxy-1-oxogermacr-10(14)-ene

Common Name: 3b,6b,8a-Triacetoxy-4b,5a-epoxy-1-oxogermacr-10(14)-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O8/c1-10(2)18-16(26-12(4)22)8-11(3)15(25)9-17(27-13(5)23)21(7)20(29-21)19(18)28-14(6)24/h10,16-20H,3,8-9H2,1-2,4-7H3/t16-,17-,18+,19+,20+,21-/m0/s1

InChIKey: InChIKey=WDKOXDYNTGJFLL-NJCPFYPZSA-N

Formula: C21H30O8

Molecular Weight: 410.458916

Exact Mass: 410.194068

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - i, Y., Wu, Y.Q., Du, X., Shi, Y.P. Planta Med (2003) 69, 782-4

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) 199.4
2 (CH2) 38.4
3 (CH) 69.2
4 (C) 57.3
5 (CH) 59.6
6 (CH) 72.2
7 (CH) 47.5
8 (CH) 68.4
9 (CH2) 38.4
10 (C) 147.5
11 (CH) 26
12 (CH3) 22.8
13 (CH3) 20.9
14 (CH2) 129.3
15 (CH3) 16.3
3a (C) 169.8
3b (CH3) 20.9
6a (C) 169.8
6b (CH3) 20.6
8a (C) 169.4
8b (CH3) 20.5