o-Cinnamoyltaxicin-i

Base Information

• Chemical Name: o-Cinnamoyltaxicin-i
• CAS No.: 11034-45-0
• Molecular Formula: C₂₉H₃₆O₇
• Molecular Weight: 496.601
• UNII: 7IR97P1VXE
• Nikkaji Number: J148.883J
• Wikidata: Q27268366
• Mol file: 11034-45-0.mol

Synonyms:o-Cinnamoyltaxicin-i;Taxicin I, monocinnamate;Taxicin I, o-cinnamoyl-;o-Cinnamoyltaxicin-i [MI];5alpha-Cinnamoyltaxicin I;UNII-7IR97P1VXE;7IR97P1VXE;11034-45-0;2-Propenoic acid, 3-phenyl-, (3S,4aR,5S,6S,11R,12R,12aR)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-5,6,11,12-tetrahydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester;O-Cinnamoyl taxicin I;5.ALPHA.-CINNAMOYLTAXICIN I;Q27268366

Chemical Property of o-Cinnamoyltaxicin-i

Chemical Property:

• Vapor Pressure: 3.64E-18mmHg at 25°C
• Melting Point: 233-234°
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 496.24610348
• Heavy Atom Count: 36
• Complexity: 988

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1=O)O)O)OC(=O)C=CC4=CC=CC=C4)C)O)O
• Isomeric SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@](C2(C)C)(CC1=O)O)O)OC(=O)/C=C/C4=CC=CC=C4)C)O)O

Technology Process of o-Cinnamoyltaxicin-i

There total 2 articles about o-Cinnamoyltaxicin-i 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: 86.0%

2,9,10-triacetyl-5-O-cinnamoyltaxicin-I (13452-36-3) → 1β,2α,9α,10β-tetrahydroxy-5α-cinnamoyloxytaxa-4(20),11-dien-13-one (11034-45-0)

Guidance literature:

With sodium methylate; In methanol; dichloromethane; at 0 ℃; for 24h;

DOI:10.1016/S0040-4020(00)00073-9

Reference yield: 62.0%

2α,9α,10β-triacetyl-5α-cinnamoyltaxicine I (148090-72-6) → 5α-cinnamoyl taxicine I (11034-45-0)

Guidance literature:

With sodium methylate; In methanol; dichloromethane; at 0 ℃; for 50h;

DOI:10.1016/S0040-4020(01)80721-3

Reference yield: 90.0%

bis(trichloromethyl) carbonate (32315-10-9) + 1β,2α,9α,10β-tetrahydroxy-5α-cinnamoyloxytaxa-4(20),11-dien-13-one (11034-45-0) → C30H34O8 (273926-45-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1016/S0040-4020(00)00073-9

upstream raw materials:

2α,9α,10β-triacetyl-5α-cinnamoyltaxicine I

2,9,10-triacetyl-5-O-cinnamoyltaxicin-I

Downstream raw materials:

C₃₅H₄₄O₇

C₃₅H₄₆O₈

1,2α,9α,10β-tetrahydroxy-5α-(3-phenyl-propionyloxy)-taxa-4(20),11-dien-13-one

1,2α,9α,10β-tetrahydroxy-5α-(3-phenyl-propionyloxy)-tax-11-en-13-one

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