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(4aR,5aS,8R,9S,10aS,11R,11aR)-11-(p-Bromobenzoyloxy)-4,4a,5a,6,7,8,9,10a,11,11a-decahydrooxepino[2',3':5,6]pyrano[3,2-d]-1.3-dioxin-8-ol

View entire compound with spectra: 1 MS (GC)

(4aR,5aS,8R,9S,10aS,11R,11aR)-11-(p-Bromobenzoyloxy)-4,4a,5a,6,7,8,9,10a,11,11a-decahydrooxepino[2',3':5,6]pyrano[3,2-d]-1.3-dioxin-8-ol
SpectraBase Compound ID 4rRdZ5FMN9Z
InChI InChI=1S/C22H27BrO7/c1-4-15-14(24)9-10-16-18(28-15)20(19-17(27-16)11-26-22(2,3)30-19)29-21(25)12-5-7-13(23)8-6-12/h4-8,14-20,24H,1,9-11H2,2-3H3/t14-,15+,16+,17-,18+,19-,20-/m1/s1
InChIKey QAARGYAJIMOPNS-VVNNMEHBSA-N
Mol Weight 483.36 g/mol
Molecular Formula C22H27BrO7
Exact Mass 482.094016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQFCOGYnEXk
Name (4aR,5aS,8R,9S,10aS,11R,11aR)-11-(p-Bromobenzoyloxy)-4,4a,5a,6,7,8,9,10a,11,11a-decahydrooxepino[2',3':5,6]pyrano[3,2-d]-1.3-dioxin-8-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27BrO7
InChI InChI=1S/C22H27BrO7/c1-4-15-14(24)9-10-16-18(28-15)20(19-17(27-16)11-26-22(2,3)30-19)29-21(25)12-5-7-13(23)8-6-12/h4-8,14-20,24H,1,9-11H2,2-3H3/t14-,15+,16+,17-,18+,19-,20-/m1/s1
InChIKey QAARGYAJIMOPNS-VVNNMEHBSA-N
Molecular Weight 483.355 g/mol
SMILES O[C@]1([C@@](O[C@@]2([C@]([C@]3([C@](O[C@]2(CC1)[H])(COC(O3)(C)C)[H])[H])(OC(c1ccc(cc1)Br)=O)[H])[H])(C=C)[H])[H]
SPLASH splash10-001r-0900200000-49d0d09ed15d60ba4af9
Source of Spectrum F-53-3066-19
Synonyms (4aR,5aS,8R,9S,10aS,11R,11aR)-2,2-dimethyl-9-vinyl-11-(p-Bromobenzoyloxy)-4,4a,5a,6,7,8,9,10a,11,11a-decahydrooxepino[2',3':5,6]pyrano[3,2-d]-1.3-dioxin-8-ol
Wiley ID 800787