Identiteit

CID 71463687

Niet vermeld · C27H44O6

01Identiteit

Lazychem IDLC-38240
CAS RNNiet vermeld
PubChem CID71463687
Molecular formulaC27H44O6
Molecular weight464.6 g/mol
IUPAC name(3aR,4R,5R,6aS)-4-[(E,3S,5S)-5-methyl-3-(oxan-2-yloxy)non-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
InChIKeySPXMZDMVHVZZPR-MMEIQNLQSA-N

02Structuur en stereochemie

2D structurePubChem CID 71463687
Two-dimensional chemical structure of CID 71463687
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 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Ring count4
Secondary amines0
Tertiary amines0
SMILESCCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC3CCCCO3)OC4CCCCO4
InChINiet vermeld

03Stereochemistry

The published structure contains 6 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 256Before 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.

04Status in India

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

05Namen en relaties

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