Identita

Cyasterone

Neuvedené · C29H44O8

01Identita

Lazychem IDLC-115770
CAS RNNeuvedené
PubChem CID119444
Molecular formulaC29H44O8
Molecular weight520.7 g/mol
IUPAC name(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
InChIKeyNEFYSBQJYCICOG-YSEUJXISSA-N

02Štruktúra a stereochémia

2D structurePubChem CID 119444
Two-dimensional chemical structure of Cyasterone
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 13 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres13
Ring count5
Secondary amines0
Tertiary amines0
SMILESC[C@H]1[C@@H]([C@H](OC1=O)C)C[C@H]([C@@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)O
InChINeuvedené

03Stereochemistry

The published structure contains 13 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres13Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8,192Before 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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04Stav v Indii

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

05Názvy a vzťahy

API a materské liečivo

Neuvedené

Názvy a vzťahy

    Nečistoty a súvisiace zlúčeniny

      06Zdroje