Obtusin

CAS Registry Number®

70588-05-5

CAS Name

Obtusin

Molecular Formula

C18H16O7

Molecular Mass

344.32

Cite this Page

Obtusin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70588-05-5 (retrieved 2024-11-24) (CAS RN: 70588-05-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    244.5-246.0 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C18H16O7/c1-7-5-8-12(18(25-4)13(7)19)15(21)11-9(14(8)20)6-10(23-2)17(24-3)16(11)22/h5-6,19,22H,1-4H3

InChIKey

InChIKey=CFLNHFUPWNRWJA-UHFFFAOYSA-N

SMILES

O=C1C=2C(C(=O)C=3C1=C(O)C(OC)=C(OC)C3)=CC(C)=C(O)C2OC

Canonical SMILES

O=C1C2=CC(OC)=C(OC)C(O)=C2C(=O)C=3C(OC)=C(O)C(=CC13)C

Other Names for this Substance

  • 9,10-Anthracenedione, 1,7-dihydroxy-2,3,8-trimethoxy-6-methyl-
  • Obtusin
  • 1,7-Dihydroxy-2,3,8-trimethoxy-6-methyl-9,10-anthracenedione
  • Obtusin (Cassia)
  • 2,8-Dihydroxy-1,6,7-trimethoxy-3-methylanthraquinone

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