Record Information
public_id FDB020292
Chemical Information
name 11,12-Dimethylrosmanol
description Constit. of Salvia columbariae (California chia)
cas_number
Properties
created_at 2010-04-08 22:14:55
updated_at 2013-08-28 07:53:38
moldb_smiles COC1=C(C=C2C(O)C3OC(=O)C4(CCCC(C)(C)C34)C2=C1OC)C(C)C
moldb_formula C22H30O5
moldb_average_mass 374.4706
moldb_inchi InChI=1S/C22H30O5/c1-11(2)12-10-13-14(17(26-6)16(12)25-5)22-9-7-8-21(3,4)19(22)18(15(13)23)27-20(22)24/h10-11,15,18-19,23H,7-9H2,1-6H3
moldb_mono_mass 374.20932407
moldb_inchikey InChIKey=WLRZIPVGEMNPES-UHFFFAOYSA-N
moldb_iupac 8-hydroxy-3,4-dimethoxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0,?.0,?]hexadeca-2,4,6-trien-15-one
Structure Thumb
Synonyms
Synonym Source
11,12-Dimethylrosmanol manual