Daphnetoxin,12-hydroxy

Base Information

• Chemical Name: Daphnetoxin,12-hydroxy
• CAS No.: 35302-50-2
• Deprecated CAS: 30277-03-3
• Molecular Formula: C27H30O9
• Molecular Weight: 498.53
• NSC Number: 239073
• DSSTox Substance ID: DTXSID80952639
• Wikidata: Q82931303
• Mol file: 35302-50-2.mol

Synonyms:12-Hydroxydaphnetoxin;DAPHNETOXIN,12-HYDROXY;35302-50-2;6H-2,8b-Epoxyoxireno(6,7)azuleno(5,4-e)-1,3-benzodioxol-6-one, 3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a,10-trihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-phenyl-;Daphnetoxin, 12-hydroxy-;NSC239073;NSC 239073;DTXSID80952639;ATCCMDINGQUBOE-UHFFFAOYSA-N;NSC-239073;30277-03-3;5,5a,10-Trihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-phenyl-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-2H,6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-6-one

Chemical Property of Daphnetoxin,12-hydroxy

Chemical Property:

• Vapor Pressure: 4.28E-21mmHg at 25°C
• Boiling Point: 709°C at 760 mmHg
• Flash Point: 240.4°C
• Density: 1.53g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 498.18898253
• Heavy Atom Count: 36
• Complexity: 1080

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)O

Technology Process of Daphnetoxin,12-hydroxy

There total 9 articles about Daphnetoxin,12-hydroxy which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methanol (67-56-1) + genkwadaphnin (55073-32-0) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 12-hydroxydaphnetoxin (35302-50-2,30277-03-3)

Guidance literature:

With potassium hydroxide; Ambient temperature;

DOI:10.1016/0031-9422(81)83105-6

Reference yield:

genkwadaphnin (55073-32-0) → 12-hydroxydaphnetoxin (35302-50-2,30277-03-3)

Guidance literature:

With sodium methylate; In methanol; Ambient temperature;

DOI:10.1016/0031-9422(90)83044-2

Reference yield:

12-O-butenoyl-5-hydroxy-6,7-epoxy-resiniferonol-9,13,14-orthobenzoate (133740-33-7) → 12-hydroxydaphnetoxin (35302-50-2,30277-03-3)

Guidance literature:

With sodium methylate; In methanol; Ambient temperature;

DOI:10.1016/0031-9422(90)83044-2

upstream raw materials:

methanol

genkwadaphnin

12-O-butenoyl-5-hydroxy-6,7-epoxy-resiniferonol-9,13,14-orthobenzoate

gnidicin

Downstream raw materials:

12-hydroxydaphnetoxin-5,12,20-triacetate

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