Ergosterol peroxide

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Systematic / IUPAC Name: (1S,2S,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9 02,6 010,15]nonadec-18-en-13-ol

ID: Reference7699

Other Names: (3β,5α,8α,22E)-5,8-Epidioxyergosta-6,22-dien-3-ol;
3b,5a-Etheno-1H-benz[c]indeno[5,4-E][1,2]dioxin-7-ol, 2,3,3a,6,7,8,9,9a,9b,10,11,11a-dodecahydro-9a,11a-dimethyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (1R,3aS,3bS,5aS,7S,9aR,11aR)-

Formula: C28H44O3

Spectral Data

Ergosterol peroxide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/4/2018 1:29:01 PM
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Identificators

InChI InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23?,24?,25+,26+,27+,28-/m0/s1
InChI Key VXOZCESVZIRHCJ-PHICIKCOSA-N
Canonical SMILES CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C
CAS
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Other Names (3β,5α,8α,22E)-5,8-Epidioxyergosta-6,22-dien-3-ol;
3b,5a-Etheno-1H-benz[c]indeno[5,4-E][1,2]dioxin-7-ol, 2,3,3a,6,7,8,9,9a,9b,10,11,11a-dodecahydro-9a,11a-dimethyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (1R,3aS,3bS,5aS,7S,9aR,11aR)-

In Other Databases

Wikipedia Ergosterol peroxide
ChemSpider 4976979
PubChem 6475145