Tunnistetiedot

3beta-Hydroxytibolone

Ei ilmoitettu · C21H30O2

01Tunnistetiedot

Lazychem ID	LC-48075
CAS RN	Ei ilmoitettu
PubChem CID	9839851
Molecular formula	C21H30O2
Molecular weight	314.5 g/mol
IUPAC name	(3S,7R,8R,9S,13S,14S,17R)-17-ethynyl-7,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
InChIKey	YLEUWNOTNJZCBN-XAAPQAIWSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of 3beta-Hydroxytibolone — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C[C@@H]1CC2=C(CC[C@@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O
InChI	Ei ilmoitettu

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 128Before 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.