(E)-6b-Acetoxy-1a,2b-isopropylidenedioxy-7aH-germacra-4,10(14)-diene

(E)-6b-Acetoxy-1a,2b-isopropylidenedioxy-7aH-germacra-4,10(14)-diene

Common Name: (E)-6b-Acetoxy-1a,2b-isopropylidenedioxy-7aH-germacra-4,10(14)-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-12(2)16-9-8-14(4)19-18(23-20(6,7)24-19)11-13(3)10-17(16)22-15(5)21/h10,12,16-19H,4,8-9,11H2,1-3,5-7H3/b13-10+/t16-,17-,18+,19+/m0/s1

InChIKey: InChIKey=IZXUKRXXGFDFEE-IBRGVZFNSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Barrero, A.F., Alvarez-Manzaneda, R., Quilez, J.F., Herrador, M.H. Phytochemistry (1998) 48, 807-13

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) 81.6
2 (CH) 79.3
3 (CH2) 43.7
4 (C) 130.1
5 (CH) 130.8
6 (CH) 72.8
7 (CH) 44.4
8 (CH2) 24.2
9 (CH2) 36.8
10 (C) 144.5
11 (CH) 31.3
12 (CH3) 20.9
13 (CH3) 21
14 (CH2) 116.3
15 (CH3) 18
1a (C) 108.7
1b (CH3) 27.2
1aa (CH3) 27.3
6a (C) 170.8
6b (CH3) 21.2