Identità

Sodium cholesteryl sulfate

Non indicato · C27H45NaO4S

01Identità

Lazychem ID	LC-64255
CAS RN	Non indicato
PubChem CID	23679068
Molecular formula	C27H45NaO4S
Molecular weight	488.7 g/mol
IUPAC name	sodium [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
InChIKey	LMPVQXVJTZWENW-KPNWGBFJSA-M

02Struttura e stereochimica

Two-dimensional chemical structure of Sodium cholesteryl sulfate — 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 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	8
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C.[Na+]
InChI	Non indicato

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 256Before 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.