G079 · Sesquiterpenoid

Zerumbone

C15H22O · 218.34 g mol⁻¹

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INTERACTIVE 3D STRUCTURE

Explore Zerumbone in its crystalline sponge

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CHONCagePhenanthrene 2a

2D chemical structure of Zerumbone — Zerumbone · 2D chemical structure

3D crystal structure of Zerumbone determined by the crystalline-sponge method — Zerumbone · crystalline-sponge guest structure

Zerumbone inside a crystalline sponge coordination cage — Zerumbone · coordination-cage host–guest structure

Zerumbone (compound 9) was structurally analyzed using cage 1a and phenanthrene (2a) in the size-compensation strategy for low-polarity small molecules.

Molecular formula: C15H22O
Molecular weight: 218.34 g mol⁻¹
CCDC accession: 2565731 ↗
Host: Pd₆L₄ cage 1a
Study: Angew. Chem. 2026 · Size compensation
Compound in publication: 9

Crystal records in this study

Host	Modulator	CCDC	SI table
Standard cage 1a	Phenanthrene 2a	2565731	S6

SOURCE PUBLICATION

Expanding the Chemical Space of Analytes in the 2G Crystalline Sponge Method: Size-Compensation Strategy for the Structural Analysis of Low-Polarity Small Molecules

W. He, L. Soliman, H. Takezawa, M. Fujita

Angew. Chem. Int. Ed. 2026, e4748505.

First published: 20 October 2026 · Early View

DOI 10.1002/anie.4748505 ↗