Identitet

18-Methylmestranol

Nije navedeno · C22H28O2

01Identitet

Lazychem ID	LC-51656
CAS RN	Nije navedeno
PubChem CID	192895
Molecular formula	C22H28O2
Molecular weight	324.5 g/mol
IUPAC name	(8R,9S,14S)-13-ethyl-17-ethynyl-3-methoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
InChIKey	NXKYEZGQCNWQRT-SPQGHWSVSA-N

02Struktura i stereokemija

Two-dimensional chemical structure of 18-Methylmestranol — 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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	CCC12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC
InChI	Nije navedeno

03Stereochemistry

The published structure contains 3 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres2Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

2 records

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.