![Iron, [.eta.4-1,5-bis(dimethoxymethyl)-1,2,3,4,4a,9,9a,10-octahydro-2,3-bis(methylene)-1,4-epoxyanthracene]tricarbonyl-, stereoisomer](/api/spectrum/BobfhpT4C2j/structure.png?h=300&w=458 "Iron, [.eta.4-1,5-bis(dimethoxymethyl)-1,2,3,4,4a,9,9a,10-octahydro-2,3-bis(methylene)-1,4-epoxyanthracene]tricarbonyl-, stereoisomer")
| SpectraBase Compound ID | 8U5EMN1QW6v |
|---|---|
| InChI | InChI=1S/C22H28O5.3CO.Fe/c1-12-13(2)22(21(25-5)26-6)18-10-14-8-7-9-15(20(23-3)24-4)16(14)11-17(18)19(12)27-22;3*1-2;/h7-9,17-21H,1-2,10-11H2,3-6H3;;;; |
| InChIKey | GURLYSGTTXXXAA-UHFFFAOYSA-N |
| Mol Weight | 512.34 g/mol |
| Molecular Formula | C25H28FeO8 |
| Exact Mass | 512.113354 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BobfhpT4C2j |
|---|---|
| Name | Iron, [.eta.4-1,5-bis(dimethoxymethyl)-1,2,3,4,4a,9,9a,10-octahydro-2,3-bis(methylene)-1,4-epoxyanthracene]tricarbonyl-, stereoisomer |
| CAS Registry Number | 126084-61-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H28FeO8 |
| InChI | InChI=1S/C22H28O5.3CO.Fe/c1-12-13(2)22(21(25-5)26-6)18-10-14-8-7-9-15(20(23-3)24-4)16(14)11-17(18)19(12)27-22;3*1-2;/h7-9,17-21H,1-2,10-11H2,3-6H3;;;; |
| InChIKey | GURLYSGTTXXXAA-UHFFFAOYSA-N |
| Molecular Weight | 512.336 g/mol |
| SMILES | C123[Fe]4(C1(C1C5Cc6c(cccc6CC5C3(O1)C(OC)OC)C(OC)OC)C4)(C2)(C#[O])(C#[O])C#[O] |
| SPLASH | splash10-00p0-6904700000-9f628965c44a1fc15973 |
| Source of Spectrum | H-72-914-22 |
| Synonyms | (1RS,2SR,3RS,4RS,4aRS,9aSR)-[c,2,c,3-.eta.-{1,5-bis(dimethoxymethyl)-1,4-epoxy-1,2,3,4,4a,9,9a,10-octahydro-2,3-dimethylideneanthracene}]tricarbonyliron (1RS,2RS,3SR,4RS,4aRS,9aSR)-[C,2,C,3-.eta.-{1,5-bis(dimethoxymethyl)-1,4-epoxy-1,2,3,4,4a,9,9a,10-octahydro-2,3-dimethylideneanthracene}]tricarbonyliron 1,4-Epoxyanthracene, 1,5-bis(dimethoxymethyl)-1,2,3,4,4a,9,9a,10-octahydro-2,3-bis(methylene)-, iron complex, (1.alpha.,4.alpha.,4a.beta.,9a.beta.)- 1,8-bis(dimethoxymethyl)-15,15,15-tris(hydroxymethyl)-18-oxa-15-ferraheptacyclo[10.5.1.0(2,11).0(4,9).0(13,15).0(13,17).0(15,17)]octadeca-4,6,8-triene |
| Wiley ID | 1400768 |