Tożsamość

1-Methylestrone

Nie podano · C19H24O2

01Tożsamość

Lazychem IDLC-45649
CAS RNNie podano
PubChem CID11954157
Molecular formulaC19H24O2
Molecular weight284.4 g/mol
IUPAC name(8R,9S,13S,14S)-3-hydroxy-1,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChIKeyAIBFRTWVQFOKIS-DRMAHVMPSA-N

02Struktura i stereochemia

2D structurePubChem CID 11954157
Two-dimensional chemical structure of 1-Methylestrone
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
SMILESCC1=CC(=CC2=C1[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C)O
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

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