ChemicalBook--->CAS DataBase List--->2061-64-5

2061-64-5

2061-64-5 Structure

2061-64-5 Structure
IdentificationBack Directory
[Name]

ergosterol-5,8-peroxide
[CAS]

2061-64-5
[Synonyms]

Peroxyergosterol
Ergosterol peroxide
ergosterol-5,8-peroxide
Ergosterol endoperoxide
Ergosterol 5α,8α-epidioxide
(22E)-5α,8α-Epidioxyergosta-6,22-diene-3β-ol
(22E)-5α,8α-Epidioxy-5α-ergosta-6,22-dien-3β-ol
Ergosta-6,22-dien-3-ol,5,8-epidioxy-, (3b,5a,8a,22E)-
Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3β,5α,8α,22E)-
[Molecular Formula]

C28H44O3
[MDL Number]

MFCD00201664
[MOL File]

2061-64-5.mol
[Molecular Weight]

428.65
Chemical PropertiesBack Directory
[Melting point ]

178 °C
[Boiling point ]

499.7±45.0 °C(Predicted)
[density ]

1.08±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Methanol: soluble
[form ]

Powder
[pka]

14.97±0.70(Predicted)
[color ]

White to off-white
[Cosmetics Ingredients Functions]

BLEACHING
SKIN CONDITIONING
HUMECTANT
[InChIKey]

LXIJTUMNXIROPP-LJJIWTQONA-N
[SMILES]

[C@@]123OO[C@@]4(C[C@@H](O)CC[C@]4(C)[C@@]1([H])CC[C@]1(C)[C@@](CC[C@@]21[H])(O)[C@H](C)/C=C/[C@H](C)C(C)C)C=C3 |&1:0,3,5,9,11,15,17,20,23,27,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
Hazard InformationBack Directory
[Uses]

Network pharmacology and molecular docking study on inhibition of Mpro, primary protease of COVID-19, by Poria cocos and its active compounds.
[Definition]

ChEBI: 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, an antimycobacterial drug and a trypanocidal drug. It is an organic peroxide, an ergostanoid, a 3beta-sterol and a member of phytosterols. It is functionally related to an ergosterol.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

ergosterol-5,8-peroxide(2061-64-5)1HNMR
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