Tunnistetiedot

3beta,5alpha,6beta-Trihydroxycholestane

Ei ilmoitettu · C27H48O3

01Tunnistetiedot

Lazychem ID	LC-118476
CAS RN	Ei ilmoitettu
PubChem CID	91498
Molecular formula	C27H48O3
Molecular weight	420.7 g/mol
IUPAC name	(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
InChIKey	YMMFNKXZULYSOQ-RUXQDQFYSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of 3beta,5alpha,6beta-Trihydroxycholestane — 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 10 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	10
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]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C
InChI	Ei ilmoitettu

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 1,024Before 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.