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Bicyclo[3.2.1]oct-3-en-2-one, 3,8-dihydroxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-(2-propenyl)-, [1S-(6-endo,7-exo,8-syn)]-
SpectraBase Compound ID AixOWLyGO7T
InChI InChI=1S/C20H22O6/c1-4-5-20-8-12(21)17(22)16(19(20)23)15(10(20)2)11-6-13(24-3)18-14(7-11)25-9-26-18/h4,6-8,10,15-16,19,21,23H,1,5,9H2,2-3H3/t10-,15+,16-,19+,20-/m1/s1
InChIKey VIZKTJQUAQSESC-XDTOGUFZSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9chv2sisyql
Name Bicyclo[3.2.1]oct-3-en-2-one, 3,8-dihydroxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-(2-propenyl)-, [1S-(6-endo,7-exo,8-syn)]-
CAS Registry Number 65527-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-4-5-20-8-12(21)17(22)16(19(20)23)15(10(20)2)11-6-13(24-3)18-14(7-11)25-9-26-18/h4,6-8,10,15-16,19,21,23H,1,5,9H2,2-3H3/t10-,15+,16-,19+,20-/m1/s1
InChIKey VIZKTJQUAQSESC-XDTOGUFZSA-N
Molecular Weight 358.390 g/mol
SMILES OC1=C[C@@]2([C@@]([C@]([C@]([C@@]2(O)[H])([H])C1=O)(c1cc2OCOc2c(c1)OC)[H])(C)[H])CC=C
SPLASH splash10-0a4l-1947000000-0f1e23e4613f1203fa8a
Source of Spectrum W5-0-0-0
Synonyms (1S)-5-allyl-3,8-dihydroxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methylbicyclo[3.2.1]oct-3-en-2-one
Wiley ID 1347057