Chemical identity

4b-methylcholesterol

CAS 1251-98-5 · C28H48O

01Identity

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

Lazychem IDLC-10580
PubChem CID20837764
Name4b-methylcholesterol
CAS RN1251-98-5
Molecular formulaC28H48O
Molecular weight400.69 g/mol
IUPAC name(3S,4R,8S,9S,10R,13R,14S,17R)-4,10,13-Trimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChIKeyPZELUKPNJYWGOY-VQTIYASZSA-N

02Structure identifiers

2D structurePubChem CID 20837764
Two-dimensional chemical structure of 4b-methylcholesterol, CAS 1251-98-5
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 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres9
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H]1[C@H](CC[C@]2(C1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)C)O
InChINot listed
Formula from structureC28H48O
Molecular weight from structure400.69 g/mol

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

3 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 1251-98-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1251-98-5 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

Cholesterol

View API and impurity family

Other names

  • Cholesterol Impurity 6
  • 1251-98-5
  • Cholesterol Impurity 21
  • 4b-methylcholesterol
  • (3S,4R,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

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