3b,6b,8a-Triacetoxy-4b,5a:1a,10b-diepoxygermacrane

3b,6b,8a-Triacetoxy-4b,5a:1a,10b-diepoxygermacrane

Common Name: 3b,6b,8a-Triacetoxy-4b,5a:1a,10b-diepoxygermacrane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H32O8/c1-10(2)17-14(25-11(3)22)9-20(6)15(28-20)8-16(26-12(4)23)21(7)19(29-21)18(17)27-13(5)24/h10,14-19H,8-9H2,1-7H3/t14-,15+,16-,17+,18+,19+,20-,21-/m0/s1

InChIKey: InChIKey=BLBBMOWYIKYMHA-CYQKWTRHSA-N

Formula: C21H32O8

Molecular Weight: 412.474797

Exact Mass: 412.209718

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 (CH) 56.3
2 (CH2) 26.4
3 (CH) 67.9
4 (C) 57.5
5 (CH) 59.6
6 (CH) 72
7 (CH) 47.4
8 (CH) 68.8
9 (CH2) 41.3
10 (C) 57.4
11 (CH) 25.6
12 (CH3) 21.4
13 (CH3) 20.4
14 (CH3) 22.2
15 (CH3) 15.5
3a (C) 169.1
3b (CH3) 20.6
6a (C) 169
6b (CH3) 20.4
8a (C) 168.7
8b (CH3) 20.2