Chemical identity

(E)-17-Deoxyaldehyde Derivative

CAS 105562-12-7 · C21H28O4

01Identity

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

Lazychem IDLC-00500
PubChem CID14261066
Name(E)-17-Deoxyaldehyde Derivative
CAS RN105562-12-7
Molecular formulaC21H28O4
Molecular weight344.45 g/mol
IUPAC name(11b,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al
InChIKeyJVIOAMIJLAYISK-GTILSLFGSA-N

02Structure identifiers

2D structurePubChem CID 14261066
Two-dimensional chemical structure of (E)-17-Deoxyaldehyde Derivative, CAS 105562-12-7
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
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]\4([C@H]3CC/C4=C(/C=O)\O)C)O
InChINot listed
Formula from structureC21H28O4
Molecular weight from structure344.45 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

2 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 105562-12-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 105562-12-7 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

Hydrocortisone

View API and impurity family

Other names

  • (11b,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al
  • 105562-12-7
  • (11beta,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al
  • AKOS026750745
  • Hydrocortisone (E)-17-Deoxyaldehyde Derivative

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