Tunnistetiedot

Vespertilin acetate

Ei ilmoitettu · C24H34O4

01Tunnistetiedot

Lazychem IDLC-46428
CAS RNEi ilmoitettu
PubChem CID11153402
Molecular formulaC24H34O4
Molecular weight386.5 g/mol
IUPAC name[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-7,9,13-trimethyl-6-oxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl] acetate
InChIKeyOWDSQNAIMXYQHD-TXWMIOKHSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 11153402
Two-dimensional chemical structure of Vespertilin acetate
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESC[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)OC1=O
InChIEi ilmoitettu

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

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.

04Tila Intiassa

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

05Nimet ja suhteet

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      06Lähteet