(+)-Daunomycinone

CAS Registry Number®

21794-55-8

CAS Name

(+)-Daunomycinone

Molecular Formula

C21H18O8

Molecular Mass

398.36

Cite this Page

(+)-Daunomycinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21794-55-8 (retrieved 2024-12-22) (CAS RN: 21794-55-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213-214 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H18O8/c1-8(22)21(28)6-10-13(11(23)7-21)19(26)16-15(18(10)25)17(24)9-4-3-5-12(29-2)14(9)20(16)27/h3-5,11,23,25-26,28H,6-7H2,1-2H3/t11-,21-/m0/s1

InChIKey

InChIKey=YOFDHOWPGULAQF-MQJDWESPSA-N

SMILES

O=C1C=2C(=C(O)C3=C(C2O)[C@@H](O)C[C@@](C(C)=O)(O)C3)C(=O)C=4C1=C(OC)C=CC4

Canonical SMILES

O=C1C=2C=CC=C(OC)C2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(C(=O)C)CC4O

Other Names for this Substance

  • 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-, (8S,10S)-
  • Daunomycinone
  • 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-, (8S-cis)-
  • (8S,10S)-8-Acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-5,12-naphthacenedione
  • Daunorubicin aglycone

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Deleted or Replaced CAS Registry Numbers

1604798-98-2

CAS INSIGHTSTM
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