Chemical identity

14-O-Acetyldaunomycinone

CAS 29984-41-6 · C23H20O10

01Identity

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

Lazychem IDLC-04186
PubChem CID11166981
Name14-O-Acetyldaunomycinone
CAS RN29984-41-6
Molecular formulaC23H20O10
Molecular weight456.4 g/mol
IUPAC name(8S,10S)-8-[2-(Acetyloxy)acetyl]-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-5,12-naphthacenedione
InChIKeyHKNGLRVIYRYQHU-MYODQAERSA-N

02Structure identifiers

2D structurePubChem CID 11166981
Two-dimensional chemical structure of 14-O-Acetyldaunomycinone, CAS 29984-41-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O
InChINot listed
Formula from structureC23H20O10
Molecular weight from structure456.4 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 / RCSNO EXACT MATCH FOUNDCAS 29984-41-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 29984-41-6 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Daunorubicin

View API and impurity family

Other names

  • [2-oxo-2-[(2S, 4S)-2, 4, 5, 12-tetrahydroxy-7-methoxy-6, 11-dioxo-3, 4-dihydro-1H-tetracen-2-yl]ethyl] acetate
  • AG-650/41069241
  • 29984-41-6
  • DTXSID30457462
  • RefChem:317360
  • DTXCID20408281
  • 14-O-Acetyldaunomycinone
  • 14-O-Acetyladriamycinone
  • (8S,10S)-8-[2-(Acetyloxy)acetyl]-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-5,12-naphthacenedione
  • (8S,cis)-8-[2-(Acetyloxy)acetyl]-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-5,12-naphthacenedione
  • CHEMBL3234279
  • 2-oxo-2-[(2S,4S)-2,4,5,12-tetrahydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl acetate

Related records from the same parent family

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