(2S,4R,5S,6R,7R,11S)-2,12-Dihydroxy-1(10)-aromadendren-14-oic acid 2,14-lactone

(2S,4R,5S,6R,7R,11S)-2,12-Dihydroxy-1(10)-aromadendren-14-oic acid 2,14-lactone

Common Name: (2S,4R,5S,6R,7R,11S)-2,12-Dihydroxy-1(10)-aromadendren-14-oic acid 2,14-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H20O3/c1-7-5-10-12-8(14(17)18-10)3-4-9-13(11(7)12)15(9,2)6-16/h7,9-11,13,16H,3-6H2,1-2H3/t7-,9-,10+,11-,13-,15+/m1/s1

InChIKey: InChIKey=IYRJQIMYPMMBPF-PSCDZZAVSA-N

Formula: C15H20O3

Molecular Weight: 248.318068

Exact Mass: 248.141245

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Staerk, D., Skole, B., Jorgensen, F.S., Budnik, B.A., Ekpe, P., Jaroszewski, J.W. J Nat Prod (2004) 67, 799-805

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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) 175.7
2 (CH) 85.7
3 (CH2) 37.4
4 (CH) 37.4
5 (CH) 34
6 (CH) 25.3
7 (CH) 23.6
8 (CH2) 21
9 (CH2) 25
10 (C) 125.7
11 (C) 25
12 (CH3) 11.4
13 (CH2) 72.7
14 (C) 175.5
15 (CH3) 15.1