![5,8-Epidioxy-2H-cyclopenta[a]phenanthrene, ergosta-6,22-dien-3-ol deriv.](/api/spectrum/EmfrQqKRua2/structure.png?h=300&w=458 "5,8-Epidioxy-2H-cyclopenta[a]phenanthrene, ergosta-6,22-dien-3-ol deriv.")
| SpectraBase Compound ID | 5xoE4ddipdN |
|---|---|
| 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+ |
| InChIKey | VXOZCESVZIRHCJ-BQYQJAHWSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EmfrQqKRua2 |
|---|---|
| Name | 5,8-Epidioxy-2H-cyclopenta[a]phenanthrene, ergosta-6,22-dien-3-ol deriv. |
| Alternate Name(s) | 5.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)- (3.beta.,5.alpha.,8.alpha.,22E)-5,8-epidioxyergosta-6,22-dien-3-ol 5,8-Epidioxy-5-.alpha.,8-.alpha.-ergosta-6,22-dien-3-.beta.-ol 5.alpha.,8.alpha.-Epidioxy-24(R)-methylcholesta-6,22-dien-3.beta.-ol Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3-beta,5-alpha,8-alpha,22E)- Ergosterol 5.alpha.,8.alpha.-epidioxide Ergosterol endoperoxide Ergosterol peroxide Ergosterol-5,8-peroxide Peroxyergosterol BRN 0096852 NSC 31324 |
| CAS Registry Number | 2061-64-5 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O3 |
| 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+ |
| InChIKey | VXOZCESVZIRHCJ-BQYQJAHWSA-N |
| Molecular Weight | 428.657 g/mol |
| SMILES | OC1CC23C=CC4(C5C(C(C(\C=C\C(C(C)C)C)C)CC5)(C)CCC4C2(CC1)C)OO3 |
| SPLASH | splash10-0002-0009000000-66b8341c7ff8e00d6140 |
| Source of Spectrum | QA-44-324-21 |
| Wiley ID | 862430 |