Epipinoresinol

HCID 637584CAS 18779-41-4

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Grundinformationen

Standard-SMILES: COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@H]3c2ccc(O)c(OC)c2)ccc1O
InChIKey: HGXBRUKMWQGOIE-WZBLMQSHSA-N
Summenformel: C20H22O6
Durchschnittliche Molmasse: 358,4 g/mol
Monoisotopische Masse: 358,14163842

Namen und Bezeichner

Bevorzugter Name: Epipinoresinol
IUPAC: 4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
Englischer Name: (+)-Epipinoresinol
Summenformel: C20H22O6
Molmasse: 358.39

Namen und Synonyme

Epipinoresinol24404-50-0epi-pinoresinol6YKG9JJC1SUNII-6YKG9JJC1S(+)-epi-pinoresinolCHEBI:1328214,4'-(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol)4,4'-((1R,3AR,4S,6AR)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXYPHENOL)PHENOL, 4,4'-((1R,3AR,4S,6AR)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXY-PHENOL, 4,4'-(3A.BETA.,4,6,6A.BETA.-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1.ALPHA.,4.BETA.-DIYL)BIS(2-METHOXY-PHENOL, 4,4'-(TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXY-, (1S-(1.ALPHA.,3A.ALPHA.,4.BETA.,6A.ALPHA.))-

Weitere Namen anzeigen

(+)-1-epi-Pinoresinol(1S,3aβ,6aβ)-Tetrahydro-1β,4α-bis(3-methoxy-4-hydroxyphenyl)-1H,3H-furo[3,4-c]furan(1S)-1β,4α-Bis(3-methoxy-4-hydroxyphenyl)-3aβ,4,6,6aβ-tetrahydro-1H,3H-furo[3,4-c]furan(1R)-1α,4β-Bis(4-hydroxy-3-methoxyphenyl)-3aβ,4,6,6aβ-tetrahydro-1H,3H-furo[3,4-c]furanPhenol, 4,4'-[(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-2-Methoxy-4-[[(3S)-6β-(3-methoxy-4-hydroxyphenyl)-3aα,4,6,6aα-tetrahydro-1H,3H-furo[3,4-c]furan]-3α-yl]phenol

4,4'-((1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2-methoxyphenol)4,4'-(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diylbis(2-methoxyphenol)RefChem:137268PHENOL, 4,4'-(3ABETA,4,6,6ABETA-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1ALPHA,4BETA-DIYL)BIS(2-METHOXY-PHENOL, 4,4'-(TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXY-, (1S-(1ALPHA,3AALPHA,4BETA,6AALPHA))-(+)-Epipinoresinol(+)-epipinoresionlMLS002473314

Datenbank-Bezeichner

CAS: 18779-41-4、24404-50-0
PubChem CID: 637584
DTXSID: DTXSID301383212
ChEBI: CHEBI:132821
UNII: 6YKG9JJC1S
Nikkaji: J322.964E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 77,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 4
Schwere Atome: 26
Formalladung: 0
Komplexität: 431

Physikochemische Eigenschaften

Löslichkeit: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Aggregatzustand: Powder
Siedepunkt: 556.5 · 556.5±50.0 °C(Predicted)
Dichte: 1.287 · 1.287±0.06 g/cm3(Predicted)
Schmelzpunkt: 137 · 137-138 °C
pka: 9.54 · 9.54±0.35(Predicted)
Farbe: White to off-white