Aitheantas

1alpha-HydroxyprevitaMin D2

Gan liostú · C28H44O2

01Aitheantas

Lazychem ID	LC-38026
CAS RN	Gan liostú
PubChem CID	71749287
Molecular formula	C28H44O2
Molecular weight	412.6 g/mol
IUPAC name	(1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol
InChIKey	TVRDOFYYUWHDKA-JWNDDEFXSA-N

02Struchtúr agus steiréicheimic

Two-dimensional chemical structure of 1alpha-HydroxyprevitaMin D2 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	CC1=C(C[C@H](C[C@@H]1O)O)/C=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C
InChI	Gan liostú

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

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.