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(3aR,3bS,6aS,12aS) trans-Tricarbonyl{.eta.6-1,2,3,3a,3b,4,5,6,6a,12a-decahydro-3a,3b,6a-endo-12a-exo-dicyclopenta[d,f]benzocyclooctene-7,12-dione)}chromium(0)

View entire compound with spectra: 1 MS (GC)

(3aR,3bS,6aS,12aS) trans-Tricarbonyl{.eta.6-1,2,3,3a,3b,4,5,6,6a,12a-decahydro-3a,3b,6a-endo-12a-exo-dicyclopenta[d,f]benzocyclooctene-7,12-dione)}chromium(0)
SpectraBase Compound ID GF0Q1W2yGQR
InChI InChI=1S/C18H20O2.3CO.Cr/c19-17-13-9-3-7-11(13)12-8-4-10-14(12)18(20)16-6-2-1-5-15(16)17;3*1-2;/h1-2,5-6,11-14H,3-4,7-10H2;;;;/t11-,12+,13-,14-;;;;/m0..../s1
InChIKey QYBIEQYFGTWNNA-PJFBHBBYSA-N
Mol Weight 404.38 g/mol
Molecular Formula C21H20CrO5
Exact Mass 404.071579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8SLz001fNZ
Name (3aR,3bS,6aS,12aS) trans-Tricarbonyl{.eta.6-1,2,3,3a,3b,4,5,6,6a,12a-decahydro-3a,3b,6a-endo-12a-exo-dicyclopenta[d,f]benzocyclooctene-7,12-dione)}chromium(0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20CrO5
InChI InChI=1S/C18H20O2.3CO.Cr/c19-17-13-9-3-7-11(13)12-8-4-10-14(12)18(20)16-6-2-1-5-15(16)17;3*1-2;/h1-2,5-6,11-14H,3-4,7-10H2;;;;/t11-,12+,13-,14-;;;;/m0..../s1
InChIKey QYBIEQYFGTWNNA-PJFBHBBYSA-N
Molecular Weight 404.382 g/mol
SMILES [C@]123[Cr]4567([C@]3(C([C@@]3([C@]([C@@]8([C@@](C1=O)(CCC8)[H])[H])(CCC3)[H])[H])=O)[C@]7([C@]4([C@]5([C@@]26[H])[H])[H])[H])(C#[O])(C#[O])C#[O]
SPLASH splash10-00di-3009000000-bb24a975718ba5f15d4d
Source of Spectrum QE-2-189-20
Synonyms (3S,7R,8S,12S)-15,15,15-tris(hydroxymethyl)-15-chromanonacyclo[12.5.0.0(1,15).0(3,7).0(8,12).0(14,16).0(15,17).0(15,18).0(15,19)]nonadecane-2,13-dione trans-Tricarbonyl{.eta.6-1,2,3,3a,3b,4,5,6,6a,12a-decahydro-3a,3b,6a-endo-12a-exo-dicyclopenta[d,f]benzocyclooctene-7,12-dione)}chromium(0)
Wiley ID 842495