Theasinensin E

CAS Registry Number®

116348-81-3
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CAS Name

Theasinensin E

Molecular Formula

C30H26O14

Molecular Mass

610.52

Cite this Page

Theasinensin E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116348-81-3 (retrieved 2024-04-24) (CAS RN: 116348-81-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H26O14/c31-9-1-15(33)11-5-19(37)29(43-21(11)3-9)13-7-17(35)25(39)27(41)23(13)24-14(8-18(36)26(40)28(24)42)30-20(38)6-12-16(34)2-10(32)4-22(12)44-30/h1-4,7-8,19-20,29-42H,5-6H2

InChIKey

InChIKey=JPBGHWKYWUEIOT-UHFFFAOYSA-N

SMILES

OC=1C(=C(C=C(O)C1O)C2OC=3C(CC2O)=C(O)C=C(O)C3)C4=C(C=C(O)C(O)=C4O)C5OC=6C(CC5O)=C(O)C=C(O)C6

Canonical SMILES

OC=1C=C(O)C2=C(OC(C=3C=C(O)C(O)=C(O)C3C4=C(O)C(O)=C(O)C=C4C5OC=6C=C(O)C=C(O)C6CC5O)C(O)C2)C1

Other Names for this Substance

  • [1,1′-Biphenyl]-2,2′,3,3′,4,4′-hexol, 6,6′-bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-, (1S)-
  • [1,1′-Biphenyl]-2,2′,3,3′,4,4′-hexol, 6,6′-bis(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-, stereoisomer
  • (1S)-6,6′-Bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl][1,1′-biphenyl]-2,2′,3,3′,4,4′-hexol
  • Theasinensin E

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