Chemical identity

Cholecalciferol EP Impurity B / Provitamin D3

CAS 434-16-2 · C27H44O

01Identity

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

Lazychem IDLC-10564
PubChem CID439423
NameCholecalciferol EP Impurity B / Provitamin D3
CAS RN434-16-2
Molecular formulaC27H44O
Molecular weight384.64 g/mol
IUPAC name7,8-didehydrocholesterol
InChIKeyUCTLRSWJYQTBFZ-DDPQNLDTSA-N

02Structure identifiers

2D structurePubChem CID 439423
Two-dimensional chemical structure of Cholecalciferol EP Impurity B / Provitamin D3, CAS 434-16-2
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 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres7
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChINot listed
Formula from structureC27H44O
Molecular weight from structure384.64 g/mol

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 128Before 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 434-16-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 434-16-2 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

Cholecalciferol

View API and impurity family

Other names

  • Cholecalciferol EP Impurity B
  • Provitamin D3
  • (3ß)-7-Dehydro Cholesterol
  • Cholesta-5,7-dien-3ß-ol
  • 7-Dehydrocholesterin
  • 7-Dehydrocholesterol
  • (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • Δ5,7-Cholestadien-3ß-ol
  • Δ7-Cholesterol
  • 434-16-2
  • Cholesta-5,7-dien-3beta-ol
  • 7,8-Didehydrocholesterol

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