Chemical identity

6-alpha-Hydroxy Estradiol 17-beta-Valerate

CAS 1313382-26-1 · C23H32O4

01Identity

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

Lazychem IDLC-03632
PubChem CID71748999
Name6-alpha-Hydroxy Estradiol 17-beta-Valerate
CAS RN1313382-26-1
Molecular formulaC23H32O4
Molecular weight372.51 g/mol
IUPAC name(6S,8R,9S,13S,14S,17S)-3,6-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl pentanoate
InChIKeyPRZIFAMBDFWLSI-CGHIAJOVSA-N

02Structure identifiers

2D structurePubChem CID 71748999
Two-dimensional chemical structure of 6-alpha-Hydroxy Estradiol 17-beta-Valerate, CAS 1313382-26-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, 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
SMILESCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=C3C=CC(=C4)O)O)C
InChINot listed
Formula from structureC23H32O4
Molecular weight from structure372.51 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

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 1313382-26-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1313382-26-1 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

Estradiol

View associated product family

Other names

  • 6, A-Hydroxy-17, A-estradiol 17-Valerate
  • 6alpha-Hydroxy-Estradiol-valerate
  • 6alpha-Hydroxy-17beta-estradiol 17-Valerate
  • 1313382-26-1
  • 6a-Hydroxy-17b-estradiol 17-Valerate
  • [(6S,8R,9S,13S,14S,17S)-3,6-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
  • (6alpha,17beta)-Estra-1,3,5(10)-triene-3,6-17-triol 17-Pentanoate
  • 6alpha-Hydroxy-17beta-estradiol Valerate
  • (17beta)-Valeryloxyestra-1,3,5(10)-triene-3,6alpha-diol Valerate
  • 6-alpha-Hydroxy Estradiol 17-beta-Valerate
  • Estradiol Valerate EP Impurity
  • DTXSID501182505

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