Combretastatin A1

CAS Registry Number®

109971-63-3
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CAS Name

Combretastatin A1

Molecular Formula

C18H20O6

Molecular Mass

332.35

Cite this Page

Combretastatin A1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=109971-63-3 (retrieved 2024-04-19) (CAS RN: 109971-63-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    113-115 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C18H20O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10,19-20H,1-4H3/b6-5-

InChIKey

InChIKey=YUSYSJSHVJULID-WAYWQWQTSA-N

SMILES

O(C)C1=C(OC)C=C(/C=C\C2=C(O)C(O)=C(OC)C=C2)C=C1OC

Canonical SMILES

OC1=C(O)C(=CC=C1OC)C=CC2=CC(OC)=C(OC)C(OC)=C2

Other Names for this Substance

  • 1,2-Benzenediol, 3-methoxy-6-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
  • 1,2-Benzenediol, 3-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]-, (Z)-
  • 3-Methoxy-6-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-benzenediol
  • Combretastatin A1
  • OXi 4500

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