Terniflorin

CAS Registry Number®

61237-19-2

CAS Name

Terniflorin

Molecular Formula

C30H26O12

Molecular Mass

578.52

Cite this Page

Terniflorin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61237-19-2 (retrieved 2024-11-25) (CAS RN: 61237-19-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    266-267 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/t24-,27-,28+,29-,30-/m1/s1

InChIKey

InChIKey=WPQRDUGBKUNFJW-YMIJDRNOSA-N

SMILES

O=C1C=2C(OC(=C1)C3=CC=C(O)C=C3)=CC(O[C@@H]4O[C@H](COC(C=CC5=CC=C(O)C=C5)=O)[C@@H](O)[C@H](O)[C@H]4O)=CC2O

Canonical SMILES

O=C(OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(O)=CC4)C(O)C(O)C1O)C=CC5=CC=C(O)C=C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 6′-ester with 7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Terniflorin
  • 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-
  • 5-Hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

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Deleted or Replaced CAS Registry Numbers

77165-83-4

CAS INSIGHTSTM
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