29836-41-7

Basic information

• Product Name: TREMULACIN
• Synonyms: TREMULACIN;TREMULACINE;2-[[[(1-Hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl 2-O-benzoyl-β-D-glucopyranoside
• CAS NO: 29836-41-7
• Molecular Formula: C₂₀H₂₄O₁₀
• Molecular Weight: 528.5
• Product Categories: Miscellaneous Natural Products
• Mol File: 29836-41-7.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 664.8°Cat760mmHg
• Flash Point: 233.9°C
• Appearance: /
• Density: 1.531g/cm³
• Vapor Pressure: 1.4E-18mmHg at 25°C
• Refractive Index: 1.641
• CAS DataBase Reference: TREMULACIN(CAS DataBase Reference)
• NIST Chemistry Reference: TREMULACIN(29836-41-7)
• EPA Substance Registry System: TREMULACIN(29836-41-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 29836-41-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C20H24O10/c21-9-13-15(23)16(24)17(25)18(30-13)29-12-6-2-1-5-11(12)10-28-19(26)20(27)8-4-3-7-14(20)22/h1-2,4-6,8,13,15-18,21,23-25,27H,3,7,9-10H2/t13-,15-,16+,17-,18-,20?/m1/s1

Synthetic route

2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]hydroxy]methyl]phenyl-β-D-glucopyranoside (29836-41-7) → salicylic alcohol (90-01-7) + 6-Hydroxycyclohex-2-ene-1-one (109986-03-0, 129693-72-7, 65311-22-0) + 6-Hydroxy-6-(2-hydroxy-benzyl)-cyclohex-2-enone (130767-68-9) + benzene-1,2-diol (120-80-9)

Conditions	Yield
With acetate buffer pH 5; β-glucosidase at 37℃; Mechanism;	A n/a B n/a C 53 % Chromat. D n/a
With acetate buffer pH 5 at 37℃; β-glucosidase;	A n/a B n/a C 53 % Chromat. D n/a

2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]hydroxy]methyl]phenyl-β-D-glucopyranoside (29836-41-7) → 2-hydroxy-2-cyclohexen-1-one (10316-66-2) + (+)-6-hydroxycyclohexen-2-one + D-(-)-salicin (138-52-3)

Conditions	Yield
enzyme from Populus balsamifera at 27℃; incubation;

Downstream Products

• 10316-66-2 2-hydroxy-2-cyclohexen-1-one 
• 138-52-3 D-(-)-salicin 
• 90-01-7 salicylic alcohol 
• 109986-03-0 6-Hydroxycyclohex-2-ene-1-one 
• 130767-68-9 6-Hydroxy-6-(2-hydroxy-benzyl)-cyclohex-2-enone 
• 120-80-9 benzene-1,2-diol