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Chemical substance record

Estriol

50-27-1C18H24O3288.387 g/mol

A 3-hydroxy steroid that is estra-1,3,5(10)-trien-3-ol substituted by additional hydroxy groups at positions 16 and 17 (16α,17β-stereoisomer). — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number50-27-1ChEBI ↗
Molecular formulaC18H24O3ChEBI ↗
Molar mass288.387 g/molChEBI ↗
Monoisotopic mass288.17254 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:27974ChEBI ↗

Cross-source molecular data

PubChem
Molar mass288.4 g/molPubChem ↗
Exact mass288.17254462 DaPubChem ↗
Computed XLogP2.5PubChem ↗
Topological polar surface area (Ų)60.7PubChem ↗
H-bond donors3PubChem ↗
H-bond acceptors3PubChem ↗
Rotatable bonds0PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
estriol
estra-1,3,5(10)-triene-3,16alpha,17beta-triol
PROQIPRRNZUXQM-ZXXIGWHRSA-N
[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@H](O)C[C@@]21[H]
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1

Names & synonyms

estra-1,3,5(10)-triene-3,16alpha,17beta-triolEstriel

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

immunosuppressive agentestrogenmouse metabolitehuman xenobiotic metabolitehuman metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00346756 mol

Uses 288.387 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 18 atoms
74.97%
O
Oxygen · 3 atoms
16.64%
H
Hydrogen · 24 atoms
8.39%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Correlation between spontaneous preterm birth and mid-trimester maternal serum estriol. ↗The journal of maternal-fetal & neonatal medicine : the official journal of the European Association of Perinatal Medicine, the Federation of Asia and Oceania Perinatal Societies, the International Society of Perinatal Obstetricians · 2014 Mar · PMID 23777262

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:27974

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 5756 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.