Identità

13C6-cereulide

Non indicato · C57H96N6O18

01Identità

Lazychem IDLC-36060
CAS RNNon indicato
PubChem CID119053415
Molecular formulaC57H96N6O18
Molecular weight1159.4 g/mol
IUPAC name(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,15,27-tri((113C)methyl)-6,18,30-tris(2-methylpropyl)-9,12,21,24,33,36-hexa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
InChIKeyJWWAHGUHYLWQCQ-NUOMGVRCSA-N

02Struttura e stereochimica

2D structurePubChem CID 119053415
Two-dimensional chemical structure of 13C6-cereulide
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 12 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres12
Ring count1
Secondary amines0
Tertiary amines0
SMILESCC(C)C[C@@H]1C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H]([13C](=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H]([13C](=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H]([13C](=O)O1)C(C)C)C(C)C)[13CH3])CC(C)C)C(C)C)C(C)C)[13CH3])CC(C)C)C(C)C)C(C)C)[13CH3]
InChINon indicato

03Stereochemistry

The published structure contains 12 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres12Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4,096Before 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.

04Stato in India

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

05Nomi e relazioni

API e farmaco progenitore

Non indicato

Nomi e relazioni

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      06Fonti