3α-Acetoxybicyclogermacra-1(10),4-diene

3α-Acetoxybicyclogermacra-1(10),4-diene

Common Name: 3α-Acetoxybicyclogermacra-1(10),4-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H26O2/c1-11-6-8-14-15(17(14,4)5)10-12(2)16(9-7-11)19-13(3)18/h7,10,14-16H,6,8-9H2,1-5H3/b11-7+,12-10+/t14?,15?,16-/m1/s1

InChIKey: InChIKey=NHDCQMVLIJWKMN-CTRHWQQTSA-N

Formula: C17H26O2

Molecular Weight: 262.38778

Exact Mass: 262.19328

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Buchanan, M.S., Connolly, J.D., Rycroft, D.S. Phytochemistry (1996) 43, 1297-301

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bicyclogermacranes; 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) 119.8
2 (CH2) 30.6
3 (CH) 79
4 (C) 126.1
5 (CH) 126.3
6 (CH) 26.8
7 (CH) 30.3
8 (CH2) 27
9 (CH2) 37.1
10 (C) 143.5
11 (C) 20.3
12 (CH3) 29.1
13 (CH3) 15.4
14 (CH3) 21.1
15 (CH3) 15.7
3a (C) 170.2
3b (CH3) 21.4