(1R,3E,5R,6S)-3,9-Dimethyl-6-isopropyl-3,9-cyclodecadiene-1,5-diol 5-acetate

(1R,3E,5R,6S)-3,9-Dimethyl-6-isopropyl-3,9-cyclodecadiene-1,5-diol 5-acetate

Common Name: (1R,3E,5R,6S)-3,9-Dimethyl-6-isopropyl-3,9-cyclodecadiene-1,5-diol 5-acetate

Synonyms: (1R,3E,5R,6S)-3,9-Dimethyl-6-isopropyl-3,9-cyclodecadiene-1,5-diol 5-acetate

CAS Registry Number:

InChI: InChI=1S/C17H28O3/c1-11(2)16-7-6-12(3)8-15(19)9-13(4)10-17(16)20-14(5)18/h8,10-11,15-17,19H,6-7,9H2,1-5H3/b12-8+,13-10+/t15-,16-,17-/m0/s1

InChIKey: InChIKey=TUFBSGOKIXSNFU-TWZHSAQGSA-N

Formula: C17H28O3

Molecular Weight: 280.403066

Exact Mass: 280.203845

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) 131.7
2 (CH) 72.1
3 (CH2) 47.8
4 (C) 137.3
5 (CH) 131.8
6 (CH) 66.5
7 (CH) 47.6
8 (CH2) 29.9
9 (CH2) 35.2
10 (C) 137.3
11 (CH) 31.1
12 (CH3) 20.4
13 (CH3) 22.2
14 (CH3) 17.3
15 (CH3) 17.2
6a (C) 170.4
6b (CH3) 20.7