Tożsamość

Ethylmetrienone

CAS 848-04-4 · C20H26O2

01Tożsamość

Lazychem IDLC-18605
CAS RN848-04-4
PubChem CID11087833
Molecular formulaC20H26O2
Molecular weight298.43 g/mol
IUPAC name(8R,9S,13S,14S)-13-ethyl-3-methoxy-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one
InChIKeyFHJVQLWFUQMADH-XSYGEPLQSA-N

02Struktura i stereochemia

2D structurePubChem CID 11087833
Two-dimensional chemical structure of Ethylmetrienone, CAS 848-04-4
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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count4
Secondary amines0
Tertiary amines0
SMILESCC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC
InChINie podano

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

04Status w Indiach

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

05Nazwy i powiązania

API i lek macierzysty

Levonorgestrel

Zanieczyszczenia i związki pokrewne

Nazwy i powiązania

  • Levonorgestrel Impurity 4
  • Ethylmetrienone
  • 848-04-4
  • 18-Methylestrone Methyl Ether
  • (8R,9S,13S,14S)-13-ethyl-3-methoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
  • Levonorgestrel Impurity 14
  • SCHEMBL4623091
  • FHJVQLWFUQMADH-XSYGEPLQSA-N
  • 13-ethyl-3-methoxygona-1,3,5(10)-trien-17-one
  • 3-methoxy-18-methyl-1,3,5(10)-estratrien-17-one
  • 3-methoxy-18-methyl-estra-1,3,5(10)-trien-17-one
  • (8R,9S,13S,14S)-13-ethyl-3-methoxy-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one

Zanieczyszczenia i związki pokrewne

06Źródła