7alpha-Hydroxycholesterol-d7

01Tapatybė

Lazychem ID	LC-49458
CAS RN	Nenurodyta
PubChem CID	3247055
Molecular formula	C27H46O2
Molecular weight	409.7 g/mol
IUPAC name	(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
InChIKey	OYXZMSRRJOYLLO-WCYTWDCFSA-N

02Struktūra ir stereochemija

Two-dimensional chemical structure of 7alpha-Hydroxycholesterol-d7 — 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 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	9
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)C([2H])([2H])[2H]
InChI	Nenurodyta

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

4 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.

CAS not listed

OYXZMSRRJOYLLO-WCYTWDCFSA-N

Current configuration

7Beta-Hydroxycholesterol

CAS not listed

OYXZMSRRJOYLLO-KGZHIOMZSA-N

9 defined, 0 unassigned centres

7α-Hydroxy Cholesterol

CAS 566-26-7

OYXZMSRRJOYLLO-RVOWOUOISA-N

9 defined, 0 unassigned centres

7β-Hydroxycholesterol

CAS 566-27-8

OYXZMSRRJOYLLO-LIKRZGAKSA-N

8 defined, 1 unassigned centres

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.

04Statusas Indijoje

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

7alpha-Hydroxycholesterol-d7

01Tapatybė

02Struktūra ir stereochemija

03Stereochemistry

Published same-connectivity configurations