5-Chloroisorotiorin

Base Information

Chemical Name:5-Chloroisorotiorin
CAS No.:27527-41-9
Molecular Formula:C₂₃H₂₃ClO₅
Molecular Weight:414.886
Hs Code.:
UNII:AFB4KX29XT
Nikkaji Number:J692.890K
Wikidata:Q77519654
Metabolomics Workbench ID:105139
ChEMBL ID:CHEMBL4291005

Synonyms:5-Chloroisorotiorin;Isochlororotiorin;(+)-5-Chloroisorotiorin;AFB4KX29XT;UNII-AFB4KX29XT;27527-41-9;6H-Furo(2,3-H)-2-benzopyran-6,8(6ah)-dione, 9-acetyl-5-chloro-3-((1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl)-6a-methyl-, (6aR)-;6H-Furo(2,3-H)-2-benzopyran-6,8(6ah)-dione, 9-acetyl-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-6a-methyl-, (R-(R*,S*-(E,E)))-;CHEMBL4291005;(6aR)-3-[(1E,3E,5S)-3,5-Dimethyl-1,3-heptadienyl]-5-chloro-6abeta-methyl-9-acetyl-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione

Suppliers and Price of 5-Chloroisorotiorin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-Chloroisorotiorin

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:414.1234015
Heavy Atom Count:29
Complexity:1000

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Useful:

Canonical SMILES:CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C3(C(=C(C(=O)O3)C(=O)C)C2=CO1)C)Cl
Isomeric SMILES:CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]3(C(=C(C(=O)O3)C(=O)C)C2=CO1)C)Cl

Technology Process of 5-Chloroisorotiorin

There total 1 articles about 5-Chloroisorotiorin 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:

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