(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol

Base Information

Chemical Name:(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
CAS No.:82262-99-5
Molecular Formula:C₃₀H₂₆O₁₂
Molecular Weight:578.529
Hs Code.:
DSSTox Substance ID:DTXSID00331902
Nikkaji Number:J314.924B
Wikidata:Q82096678
Metabolomics Workbench ID:69407
ChEMBL ID:CHEMBL4514734

Synonyms:82262-99-5;C10221;AC1L9D7H;CTK3E9651;CHEMBL4514734;DTXSID00331902;Epicatechin-(4beta-8)-ent-epicatechin;(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol;(2R,2'S,3R,3'S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol;(2R,2'S,3R,3'S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-[4,8'-bi-1-benzopyran]-3,3',5,5',7,7'-hexol;(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Suppliers and Price of (2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol

Supply Marketing:

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

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Chemical Property of (2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol

Chemical Property:

Boiling Point:955.3°Cat760mmHg
Flash Point:531.6°C
PSA：220.76000
Density:1.705g/cm³
LogP:2.99500
XLogP3:2.4
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:3
Exact Mass:578.14242626
Heavy Atom Count:42
Complexity:925

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
Isomeric SMILES:C1[C@@H]([C@@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O

Technology Process of (2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol

There total 5 articles about (2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol 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:

: 35323-91-2
(+)-epicatechin

: 88314-65-2
epicatechin-(4β->6)-ent-epicatechin

: 82262-99-5
epicatechin-(4β->8)-ent-epicatechin

Guidance literature:: With acetic acid; In ethanol; at 95 ℃; for 22h;

Reference yield:

: 35323-91-2
(+)-epicatechin

: 82262-99-5
epicatechin-(4β->8)-ent-epicatechin

: 82262-98-4
(+)-epicatechin-<4α->8>-(+)-epicatechin

Guidance literature:: With acetic acid; In ethanol; at 95 ℃; for 22h;

Reference yield:

: 154-23-4
catechin

: 82262-99-5
epicatechin-(4β->8)-ent-epicatechin

Guidance literature:: Multi-step reaction with 2 steps

1: 0.63 g / ethanol / 2 h / 180 °C / 103430 Torr / pressurised under nitrogen

2: acetic acid / ethanol / 22 h / 95 °C

With acetic acid; In ethanol;