Tapatybė

4-Hydroxy Estrone

CAS 3131-23-5 · C18H22O3

01Tapatybė

Lazychem IDLC-03126
CAS RN3131-23-5
PubChem CID9971251
Molecular formulaC18H22O3
Molecular weight286.37 g/mol
IUPAC name(8R,9S,13S,14S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
InChIKeyXQZVQQZZOVBNLU-QDTBLXIISA-N

02Struktūra ir stereochemija

2D structurePubChem CID 9971251
Two-dimensional chemical structure of 4-Hydroxy Estrone, CAS 3131-23-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4O)O
InChINenurodyta

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

04Statusas Indijoje

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Pavadinimai ir ryšiai

API ir pirminis vaistas

Estriol

Priemaišos ir susiję junginiai

Pavadinimai ir ryšiai

  • 4-Hydroxyestrone
  • 3131-23-5
  • 3,4-Dihydroxyestra-1,3,5(10)-trien-17-one
  • 3,4-dihydroxy-1,3,5(10)-estratrien-17-one
  • CHEBI:87602
  • DTXSID00904312
  • 3MN57C55S2
  • ESTRA-1,3,5(10)-TRIEN-17-ONE, 3,4-DIHYDROXY-
  • RefChem:99317
  • 4-OHE1
  • DTXCID701333469
  • (15R)-5,6-dihydroxy-15-methyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-2,4,6-trien-14-one

Priemaišos ir susiję junginiai

06Šaltiniai