Identidad

14-Bromodaunomycinone

No indicado · C21H17BrO8

01Identidad

Lazychem ID	LC-46375
CAS RN	No indicado
PubChem CID	11202369
Molecular formula	C21H17BrO8
Molecular weight	477.3 g/mol
IUPAC name	(7S,9S)-9-(2-bromoacetyl)-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
InChIKey	JBZMHBHXHFZSMN-CWKPULSASA-N

02Estructura y estereoquímica

Two-dimensional chemical structure of 14-Bromodaunomycinone — 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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@@H]4O)(C(=O)CBr)O)C(=C3C2=O)O)O
InChI	No indicado

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.