Chemical identity

8-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate

CAS 79952-43-5 · C24H36O5

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-03964
PubChem CID3962
Name8-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
CAS RN79952-43-5
Molecular formulaC24H36O5
Molecular weight404.54 g/mol
IUPAC name[8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate
InChIKeyPCZOHLXUXFIOCF-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 3962
Two-dimensional chemical structure of 8-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate, CAS 79952-43-5
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres8
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESO=C(OC1CC(C)C=C2C1C(CCC3OC(CC(C3)O)=O)C(C)C=C2)C(CC)C
InChINot listed
Formula from structureC24H36O5
Molecular weight from structure404.54 g/mol

03Stereochemistry

The published structure contains 0 defined and 8 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres8Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

5 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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 79952-43-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 79952-43-5 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Lovastatin; Simvastatin

View API and impurity family

Other names

  • Simvastatin EP Impurity F
  • (2R)-2-Methylbutanoic Acid (1S, 3R, 7S, 8S, 8aR)-1, 2, 3, 7, 8, 8a-Hexahydro-3, 7-
  • Simvastatin EP Impurity F / Simvastatin Related Compound F / epi-Lovastatin / Lovastatin epimer

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources