(S)-(+)-12-Carboxy-10,11-dihydrocurcuphenol

(S)-(+)-12-Carboxy-10,11-dihydrocurcuphenol

Common Name: (S)-(+)-12-Carboxy-10,11-dihydrocurcuphenol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O3/c1-10-7-8-13(14(16)9-10)11(2)5-4-6-12(3)15(17)18/h7-9,11-12,16H,4-6H2,1-3H3,(H,17,18)/t11-,12-/m0/s1

InChIKey: InChIKey=AJPJDNFISJPKSE-RYUDHWBXSA-N

Formula: C15H22O3

Molecular Weight: 250.33395

Exact Mass: 250.156895

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - El Sayed, K.A., Yousaf, M., Hamann, M.T., Avery, M.A., Kelly, M., Wipf, P. J Nat Prod (2002) 65, 1547-53

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) 154
2 (CH) 116.1
3 (C) 136.6
4 (CH) 121.8
5 (CH) 127
6 (C) 130
7 (CH) 31.5
8 (CH2) 37
9 (CH2) 26.5
10 (CH2) 23
11 (CH) 30
12 (C) 170
13 (CH3) 13.5
14 (CH3) 21.5
15 (CH3) 21.2