Tellimagrandin I

CAS Registry Number®

79786-08-6

CAS Name

Tellimagrandin I

Molecular Formula

C34H26O22

Molecular Mass

786.56

Cite this Page

Tellimagrandin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79786-08-6 (retrieved 2024-11-24) (CAS RN: 79786-08-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    79-81 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C34H26O22/c35-7-20(54-31(49)9-1-13(36)23(43)14(37)2-9)30(56-32(50)10-3-15(38)24(44)16(39)4-10)29-19(42)8-53-33(51)11-5-17(40)25(45)27(47)21(11)22-12(34(52)55-29)6-18(41)26(46)28(22)48/h1-7,19-20,29-30,36-48H,8H2

InChIKey

InChIKey=XUZYVFYOPRXTRB-UHFFFAOYSA-N

SMILES

OC1=C2C=3C(=CC(O)=C(O)C3O)C(=O)OCC(O)C(C(C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=O)OC(=O)C5=CC(O)=C(O)C(O)=C5)OC(=O)C2=CC(O)=C1O

Canonical SMILES

O=CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C3OC(=O)C4=CC(O)=C(O)C(O)=C4C=5C(O)=C(O)C(O)=CC5C(=O)OCC3O

Other Names for this Substance

  • D-Glucose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 2,3-bis(3,4,5-trihydroxybenzoate)
  • D-Glucose, cyclic 4,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 2,3-bis(3,4,5-trihydroxybenzoate), (S)-
  • 7H-Dibenzo[g,i][1,5]dioxacycloundecin, D-glucose deriv.
  • Tellimagrandin I
  • 1-Desgalloyleugeniin

Deleted or Replaced CAS Registry Numbers

125477-00-1

CAS INSIGHTSTM
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