29907-56-0

Basic information

• Product Name: 9,12,13-trihydroxy-10-octadecenoic acid
• Synonyms: 9,12,13-trihydroxy-10-octadecenoic acid;9,12,13-trihydroxyoctadec-10-enoic acid
• CAS NO: 29907-56-0
• Molecular Formula: C₁₈H₃₄O₅
• Molecular Weight: 330.4596
• Mol File: 29907-56-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 531.5°Cat760mmHg
• Flash Point: 289.3°C
• Appearance: /
• Density: 1.074g/cm³
• Vapor Pressure: 1.62E-13mmHg at 25°C
• Refractive Index: 1.507
• PKA: 4.78±0.10(Predicted)
• CAS DataBase Reference: 9,12,13-trihydroxy-10-octadecenoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 9,12,13-trihydroxy-10-octadecenoic acid(29907-56-0)
• EPA Substance Registry System: 9,12,13-trihydroxy-10-octadecenoic acid(29907-56-0)

Safety Data

• Hazardous Substances Data: 29907-56-0(Hazardous Substances Data)

Usage

Definition

ChEBI: A TriHOME that is octadec-10-enoic acid in which the three hydroxy substituents are located at positions 9, 12 and 13.

InChI:InChI=1/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+

Upstream product

• 135460-97-8 (E)-(9R,13R)-9-Acetoxy-13-(2,2-dimethyl-propionyloxy)-12-oxo-octadec-10-enoic acid methyl ester 
• 135460-95-6 8-{(2R,3S)-3-[(2R,3R)-3-(2,2-Dimethyl-propionyloxy)-2-hydroxy-octyl]-oxiranyl}-octanoic acid methyl ester 
• 135460-96-7 (E)-(9R,13R)-13-(2,2-Dimethyl-propionyloxy)-9-hydroxy-12-oxo-octadec-10-enoic acid methyl ester 
• 6088-36-4 methyl 12S*,13S*-dihydroxyoctadeca-9Z-enoate 
• 19473-52-0 (Z)-11-((4R,5R)-2,2-Dimethyl-5-pentyl-[1,3]dioxolan-4-yl)-undec-9-enoic acid methyl ester 
• 2733-91-7 (9Z)-11-[(2RS,3SR)-3-pentyloxyiranyl]undec-9-enoic acid methyl ester 
• 112-63-0 Methyl linoleate 
• 38947-15-8 (E)-(9R,12R,13R)-9,12,13-Trihydroxy-octadec-10-enoic acid methyl ester 
• 97090-63-6 (E)-(R)-11-((4R,5R)-2,2-Dimethyl-5-pentyl-[1,3]dioxolan-4-yl)-9-hydroxy-undec-10-enoic acid methyl ester 

Relevant articles and documents

Structural Elucidation of Naturally Occurring 9,12,13-Trihydroxy Fatty Acids by a Synthetic Study

Our investigation on anti-rice blast fungus materials from the rice plant has already led to the isolation of various types of oxygenated unsaturated fatty acids, which play an essential role in the defense of the rice plant against this fungus.Among those isolated were 9,12,13-trihydroxy C-18 fatty acids.We have determined the relative stereochemistry of the trihydroxy acid by synthesizing the possible stereoisomers.This paper describes the details of our synthetic study, demonstrating the fatty acid to be 9S,12S,13S-trihydroxyoctadeca-10E,15Z-dienoic acid and its 15-dihydro analogue.The absolute configuration was determined by observing a positive Cotton effect in the CD spectrum of the benzoate derivative of the natural material.