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Chemical substance record

Costunolide

553-21-9C15H20O2232.323 g/mol

A germacranolide with anthelminthic, antiparasitic and antiviral activities. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values
CAS number553-21-9ChEBI ↗
Molecular formulaC15H20O2ChEBI ↗
Molar mass232.323 g/molChEBI ↗
Monoisotopic mass232.14633 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:3900ChEBI ↗

Cross-source molecular data

PubChem
Molar mass232.32 g/molPubChem ↗
Exact mass232.146329876 DaPubChem ↗
Computed XLogP2.1PubChem ↗
Topological polar surface area (Ų)26.3PubChem ↗
H-bond donors0PubChem ↗
H-bond acceptors2PubChem ↗
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
costunolide
(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
HRYLQFBHBWLLLL-AHNJNIBGSA-N
C=C1C(=O)O[C@@H]2/C=C(C)CC/C=C(C)CC[C@@H]12
InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1

Names & synonyms

(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one

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

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

metaboliteantiinfective agentantiparasitic agentanthelminthic drugantineoplastic agentantiviral drug

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
0.00430435 mol

Uses 232.323 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 · 15 atoms
77.55%
O
Oxygen · 2 atoms
13.77%
H
Hydrogen · 20 atoms
8.68%

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

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:3900

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

NCBI PubChem · CID 5281437 · 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.