(2S,4R,5S,6R,7R,9S)-2,9-Dihydroxy-1(10)-aromadendren-14-oic acid 2,14-lactone

(2S,4R,5S,6R,7R,9S)-2,9-Dihydroxy-1(10)-aromadendren-14-oic acid 2,14-lactone

Common Name: (2S,4R,5S,6R,7R,9S)-2,9-Dihydroxy-1(10)-aromadendren-14-oic acid 2,14-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H20O3/c1-6-4-9-12-10(6)13-7(15(13,2)3)5-8(16)11(12)14(17)18-9/h6-10,13,16H,4-5H2,1-3H3/t6-,7-,8+,9+,10-,13-/m1/s1

InChIKey: InChIKey=FQWVWVVXBPOQTC-PPOPXYSFSA-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) 177.8
2 (CH) 83.2
3 (CH2) 37.1
4 (CH) 37.1
5 (CH) 35.6
6 (CH) 27.8
7 (CH) 23.5
8 (CH2) 30
9 (CH) 65.6
10 (C) 127.4
11 (C) 21.3
12 (CH3) 15.6
13 (CH3) 28.3
14 (C) 175.6
15 (CH3) 15