Chemical identity

3-O-Methyl Estradiol

CAS 1035-77-4 · Formula not listed

01Identity

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

Lazychem IDLC-02656
PubChem CID246206
Name3-O-Methyl Estradiol
CAS RN1035-77-4
Molecular formulaNot listed
Molecular weightNot listed
IUPAC name(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
InChIKeyULAADVBNYHGIBP-GFEQUFNTSA-N

02Structure identifiers

2D structurePubChem CID 246206
Two-dimensional chemical structure of 3-O-Methyl Estradiol, CAS 1035-77-4
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 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
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)CCC4=C3C=CC(=C4)OC
InChINot listed
Formula from structureC19H26O2
Molecular weight from structure286.42 g/mol

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 1035-77-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1035-77-4 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

  • Estradiol 3-methyl ether
  • 3-Methoxyoestradiol
  • 17.beta.-Estradiol 3-methyl ether
  • 3-Methoxyestra-1, 3, 5(10)-trien-17-ol
  • 3-Methoxyoestra-1, 3, 5(10)-trien-17-beta-ol

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