Chemical identity

Tetrahydro-11-deoxy Cortisol

CAS 68-60-0 · C21H34O4

01Identity

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

Lazychem IDLC-29355
PubChem CID65555
NameTetrahydro-11-deoxy Cortisol
CAS RN68-60-0
Molecular formulaC21H34O4
Molecular weight350.50 g/mol
IUPAC name1-((5R,10S,13S,17R)-3,17-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethanone
InChIKeyUPTAPIKFKZGAGM-FAIYVORSSA-N

02Structure identifiers

2D structurePubChem CID 65555
Two-dimensional chemical structure of Tetrahydro-11-deoxy Cortisol, CAS 68-60-0
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 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres8
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
InChINot listed
Formula from structureC21H34O4
Molecular weight from structure350.50 g/mol

03Stereochemistry

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

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before 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 68-60-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 68-60-0 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

Cortisol

View API and impurity family

Other names

  • Tetrahydro-11-deoxycortisol
  • Tetrahydrodeoxycortisol
  • 68-60-0
  • Trihydroxypregnanone
  • Tetrahydro compound S
  • 1-[(3R,5R,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
  • DTXSID001018945
  • Tetrahydro-Reichstein's substance S
  • 3alpha,5beta-THS
  • RefChem:188662
  • DTXCID501476958
  • 5 beta-pregnane-3alpha,17alpha,21-triol-20-one

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