Tunnistetiedot

Vindoline

CAS 2182-14-1 · C25H32N2O6

01Tunnistetiedot

Lazychem IDLC-30838
CAS RN2182-14-1
PubChem CID260535
Molecular formulaC25H32N2O6
Molecular weight456.53 g/mol
IUPAC name(3aR,3a1R,4R,5S,5aR,10bR)-methyl 4-acetoxy-3a-ethyl-5-hydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate
InChIKeyCXBGOBGJHGGWIE-ACSXSLCXSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 260535
Two-dimensional chemical structure of Vindoline, CAS 2182-14-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Ring count5
Secondary amines0
Tertiary amines2
SMILESCC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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.

04Tila Intiassa

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nimet ja suhteet

API ja emolääke

Vinorelbine

Epäpuhtaudet ja lähiyhdisteet

Nimet ja suhteet

  • Methyl 4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6, 7-didehydroaspidospermidine-3-carboxylate
  • Methyl 11-(acetyloxy)-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8, 16-diazapentacyclo[10.6.1.0, .0, .0, ]nonadeca-2(7), 3, 5, 13-tetraene-10-carboxylic acid

Epäpuhtaudet ja lähiyhdisteet

06Lähteet