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(6R,7S)-6-Bromo-3-(3'-bromopropa-1',2'-dienyl)-9-isopropoxy-5-methyl-4,13-dioxabicyclo[8.2.1]trideca-10,12-dien-7-ol-acetate

View entire compound with spectra: 1 MS (GC)

(6R,7S)-6-Bromo-3-(3'-bromopropa-1',2'-dienyl)-9-isopropoxy-5-methyl-4,13-dioxabicyclo[8.2.1]trideca-10,12-dien-7-ol-acetate
SpectraBase Compound ID IuwpUp7hFOH
InChI InChI=1S/C20H26Br2O5/c1-12(2)24-18-11-19(26-14(4)23)20(22)13(3)25-15(6-5-9-21)10-16-7-8-17(18)27-16/h6-9,12-13,15,18-20H,10-11H2,1-4H3/t5?,13?,15?,18?,19-,20+/m0/s1
InChIKey SHTNVLDVQIONQS-JWFFDLRXSA-N
Mol Weight 506.23 g/mol
Molecular Formula C20H26Br2O5
Exact Mass 504.0147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VLkRgmA4Rn
Name (6R,7S)-6-Bromo-3-(3'-bromopropa-1',2'-dienyl)-9-isopropoxy-5-methyl-4,13-dioxabicyclo[8.2.1]trideca-10,12-dien-7-ol-acetate
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Formula C20H26Br2O5
InChI InChI=1S/C20H26Br2O5/c1-12(2)24-18-11-19(26-14(4)23)20(22)13(3)25-15(6-5-9-21)10-16-7-8-17(18)27-16/h6-9,12-13,15,18-20H,10-11H2,1-4H3/t5?,13?,15?,18?,19-,20+/m0/s1
InChIKey SHTNVLDVQIONQS-JWFFDLRXSA-N
Molecular Weight 506.231 g/mol
SMILES c12oc(CC(OC([C@]([C@](CC2OC(C)C)(OC(=O)C)[H])(Br)[H])C)C=C=CBr)cc1
SPLASH splash10-0006-9401000000-44860b7a2c7e08730d7c
Source of Spectrum H-83-347-12
Synonyms (6R,7S)-6-bromo-3-(3-bromo-1,2-propadienyl)-9-isopropoxy-5-methyl-4,13-dioxabicyclo[8.2.1]trideca-1(12),10-dien-7-yl acetate 6-Bromo-3-(3'-bromopropa-1',2'-dienyl)-9-isopropoxy-5-methyl-4,13-dioxabicyclo[8.2.1]trideca-10,12-dien-7-ol-acetate
Wiley ID 846966