Identita

Norcantharidin

Neuvedeno · C8H8O4

01Identita

Lazychem IDLC-81781
CAS RNNeuvedeno
PubChem CID9877482
Molecular formulaC8H8O4
Molecular weight168.15 g/mol
IUPAC name(1S,2R,6S,7R)-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
InChIKeyJAABVEXCGCXWRR-FBXFSONDSA-N

02Struktura a stereochemie

2D structurePubChem CID 9877482
Two-dimensional chemical structure of Norcantharidin
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count3
Secondary amines0
Tertiary amines0
SMILESC1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)OC3=O
InChINeuvedeno

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

2 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.

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 vztahy

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      06Zdroje