54113-95-0

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54113-95-0 Structure

Identification	Back Directory
[Name] 15-HYDROXYDEHYDROABIETICACID
[CAS] 54113-95-0
[Synonyms] 15-HYDROXYDEHYDROABIETICACID 15-Hydroxyabieta-8,11,13-trien-18-oicaci 15-Hydroxyabieta-8,11,13-trien-18-oic acid 15-Hydroxy-abieta-8,11,13-triene-18-oic acid 15-Hydroxydehydroabietic acid >=95% (LC/MS-ELSD) 1,4aβ-Dimethyl-7-(1-hydroxy-1-methylethyl)-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1α-carboxylic acid
[Molecular Formula] C20H28O3
[MDL Number] MFCD17214821
[MOL File] 54113-95-0.mol
[Molecular Weight] 316.435

Chemical Properties	Back Directory
[storage temp. ] -20°C
[form ] solid
[Major Application] metabolomics vitamins, nutraceuticals, and natural products
[InChI] 1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1
[InChIKey] ILQLITDRYFHAGM-NSISKUIASA-N
[SMILES] CC(C)(O)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07,GHS09
[Signal word ] Warning
[Hazard statements ] H302-H410
[Precautionary statements ] P273-P501
[Hazard Codes ] Xn,N
[Risk Statements ] 22-50
[Safety Statements ] 61
[RIDADR ] UN 3077 9 / PGIII
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1

Hazard Information	Back Directory
[Uses] metabolomics vitamins, nutraceuticals, and natural products

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