Rubrorotiorin

Base Information

Chemical Name:Rubrorotiorin
CAS No.:28763-04-4
Molecular Formula:C₂₃H₂₃ClO₅
Molecular Weight:414.886
Hs Code.:
ChEMBL ID:CHEMBL497263
DSSTox Substance ID:DTXSID601317723
Metabolomics Workbench ID:108044
Nikkaji Number:J56.297A
Wikidata:Q27137178
Mol file:28763-04-4.mol

Synonyms:Rubrorotiorin;28763-04-4;CHEBI:68787;(6aS)-9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methylfuro[2,3-h]isochromene-6,8-dione;CHEMBL497263;DTXSID601317723;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-, (6aS);Q27137178;(6aS)-9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dien-1-yl]-6a-methyl-6H-furo[2,3-h]isochromene-6,8(6aH)-dione;(6aS)-9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-furo[2,3-h]isochromene-6,8-dione

Suppliers and Price of Rubrorotiorin

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of Rubrorotiorin

Chemical Property:

Vapor Pressure:1.04E-13mmHg at 25°C
Boiling Point:585.9°Cat760mmHg
Flash Point:207.7°C
PSA：69.67000
Density:1.28g/cm³
LogP:4.60970
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

Purity/Quality:

Safty Information:

Pictogram(s):
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MSDS Files:: SDS file from LookChem

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 Rubrorotiorin

There total 1 articles about Rubrorotiorin 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: