CAS 2061-64-5 — 0 EU Cosmetic Records

Chemical identity and properties

PubChem 2D chemical structure for CAS 2061-64-5

CAS 2061-64-5PubChem CID 5351516

Ergosterol Peroxide

Ergosterol peroxide is an ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities. It has a role as a metabolite, an antineoplastic agent, a trypanocidal drug and an antimycobacterial drug. It is an organic peroxide, a member of phytosterols, a 3beta-sterol and an ergostanoid. It is functionally related to an ergosterol. — ChEBI

IUPAC name: (1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

Molecular formula: C28H44O3
Molecular weight: 428.6 g/mol
Exact mass: 428.32904526 Da
XLogP3: 6.7
Topological polar surface area: 38.7 Å²
Hydrogen-bond donors: 1
Hydrogen-bond acceptors: 3
Covalent units: 1
Defined stereocentres: 10

Also known as

Ergosterol endoperoxidePeroxyergosterolErgosterol-5,8-peroxideErgosterol 5alpha,8alpha-epidioxideUG9TN81TGHNSC-31324CHEBI:65858(22E,24R)-5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol

16 more reported names

3-hydroxy-5,7-epidioxyergosta-6,22-diene5alpha,8alpha-Ergosta-6,22-dien-3beta-ol, 5,8-epidioxy-Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3beta,5alpha,8alpha,22E)-(1S,2R,5R,6R,9R,10R,13S,15S)-5-((E,2R,5R)-5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo(13.2.2.01,9.02,6.010,15)nonadec-18-en-13-ol5,8-epidioxyergosta-6,22-dien-3-olRefChem:9211085alpha,8alpha-epidioxy-22E-ergosta-6,22-dien-3beta-ol(24R)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-olNSC 31324(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0^{1,9}.0^{2,6}.0^{10,15}]nonadec-18-en-13-olUNII-UG9TN81TGH(3beta,5alpha,8alpha,22E)-5,8-epidioxyergosta-6,22-dien-3-ol5.alpha.,8.alpha.-Ergosta-6,22-dien-3.beta.-ol, 5,8-epidioxy-Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3.beta.,5.alpha.,8.alpha.,22E)-Ergosterol 5.alpha.,8.alpha.-epidioxideErgosterol 5-alpha,8-alpha-epidioxide

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External database identifiers

ChEBI:CHEBI:65858
ChEMBL:CHEMBL434750
EPA DTXSID:DTXSID501021533
PubMed:20100469
PubMed:20085279
PubMed:19475991
PubMed:16595913

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

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