Chemical identity

1-Alpha-Hydroxy-Precalciferol

CAS 41461-13-6 · C27H44O2

01Identity

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

Lazychem IDLC-01184
PubChem CID20841346
Name1-Alpha-Hydroxy-Precalciferol
CAS RN41461-13-6
Molecular formulaC27H44O2
Molecular weight400.64 g/mol
IUPAC name(1R,3S)-4-methyl-5-((Z)-2-((1R,3aR,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)cyclohex-4-ene-1,3-diol
InChIKeyIGGKEILCLJZLKQ-DZNOAZLDSA-N

02Structure identifiers

2D structurePubChem CID 20841346
Two-dimensional chemical structure of 1-Alpha-Hydroxy-Precalciferol, CAS 41461-13-6
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 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C(C[C@H](C[C@@H]1O)O)/C=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C
InChINot listed
Formula from structureC27H44O2
Molecular weight from structure400.64 g/mol

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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.

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 41461-13-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 41461-13-6 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

Calciferol; Cholecalciferol

View API and impurity family

Other names

  • 1-Alpha-Hydroxy-Precalciferol / Calciferol Impurity 11
  • 1-Alpha-Hydroxy-Precalciferol/ 1-Alpha-Hydroxy-Previtamin D3
  • 1-Alpha-Hydroxy-Precalciferol
  • Calciferol Impurity 11

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