Chemical identity

4-Demethyl Daunomycinone / 4-O-Demethyldaunomycinone / Carminomycinone

CAS 52744-22-6 · C20H16O8

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-03066
PubChem CID10452581
Name4-Demethyl Daunomycinone / 4-O-Demethyldaunomycinone / Carminomycinone
CAS RN52744-22-6
Molecular formulaC20H16O8
Molecular weight384.34 g/mol
IUPAC name(8S,10S)-8-Acetyl-7,8,9,10-tetrahydro-1,6,8,10,11-pentahydroxy-5,12-naphthacenedione
InChIKeyXYDJGVROLWFENK-XRDRKEPISA-N

02Structure identifiers

2D structurePubChem CID 10452581
2D structure: 4-Demethyl Daunomycinone / 4-O-Demethyldaunomycinone / Carminomycinone, CAS 52744-22-6
Structure of 4-Demethyl Daunomycinone / 4-O-Demethyldaunomycinone / Carminomycinone (CAS 52744-22-6). LazyChem record. Source identity: PubChem CID 10452581. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC20H16O8
InChIKeyXYDJGVROLWFENK-XRDRKEPISA-N
Ring count4
Defined stereocentres1
Unassigned stereocentres1
SMILESCC(=O)[C@]1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O)O
InChIInChI=1S/C20H16O8/c1-7(21)20(28)5-9-13(11(23)6-20)19(27)15-14(17(9)25)16(24)8-3-2-4-10(22)12(8)18(15)26/h2-4,11,22-23,25,27-28H,5-6H2,1H3/t11?,20-/m0/s1

03Stereochemistry

The published structure contains 1 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres12D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 52744-22-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 52744-22-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Daunomycinone

View API and impurity family

Other names

  • 4-Demethyl Daunomycinone
  • 4-O-Demethyldaunomycinone/ Carminomycinone
  • Carminomycinone
  • 8-Acetyl-1,6,8,10,11-pentahydroxy-7,8,9,10-tetrahydro-naphthacene-5,12-dione

Related records from the same parent family

No related records are linked by parent name.

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources