Chemical identity

Androst-5-ene-3,17-diol, (3β,17α)

CAS 1963-03-7 · C19H30O2

01Identity

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

Lazychem IDLC-06376
PubChem CID102192
NameAndrost-5-ene-3,17-diol, (3β,17α)
CAS RN1963-03-7
Molecular formulaC19H30O2
Molecular weight290.45 g/mol
IUPAC name(3S,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
InChIKeyQADHLRWLCPCEKT-SLMGBJJTSA-N

02Structure identifiers

2D structurePubChem CID 102192
Two-dimensional chemical structure of Androst-5-ene-3,17-diol, (3β,17α), CAS 1963-03-7
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 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@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChINot listed
Formula from structureC19H30O2
Molecular weight from structure290.45 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

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 1963-03-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1963-03-7 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

Androsterone

View API and impurity family

Other names

  • (3?, 17?)-Androst-5-ene-3, 17-diol
  • 3?, 17?-Dihydroxyandrost-5-ene
  • Androst-5-ene-3beta,17alpha-diol
  • 1963-03-7
  • 831IQ649FI
  • (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
  • Androst-5-ene-3,17-diol, (3.beta.,17.alpha.)-
  • (17alpha)-androstenediol
  • Androstenediol, (17alpha)-
  • UNII-831IQ649FI
  • SCHEMBL2186247
  • ?5-Androstene-3?,17?-diol

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