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(1R,2S,5R,6S)-2,6-bis(3'-Ethyl-4'-hydroxy-5'-methoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
SpectraBase Compound ID AUvlGYn2ii1
InChI InChI=1S/C24H30O6/c1-5-13-7-15(9-19(27-3)21(13)25)23-17-11-30-24(18(17)12-29-23)16-8-14(6-2)22(26)20(10-16)28-4/h7-10,17-18,23-26H,5-6,11-12H2,1-4H3/t17-,18-,23+,24+/m0/s1
InChIKey ORPAPYNMUNVYJC-XZUXRINTSA-N
Mol Weight 414.5 g/mol
Molecular Formula C24H30O6
Exact Mass 414.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hu6aIsfG1BJ
Name (1R,2S,5R,6S)-2,6-bis(3'-Ethyl-4'-hydroxy-5'-methoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O6
InChI InChI=1S/C24H30O6/c1-5-13-7-15(9-19(27-3)21(13)25)23-17-11-30-24(18(17)12-29-23)16-8-14(6-2)22(26)20(10-16)28-4/h7-10,17-18,23-26H,5-6,11-12H2,1-4H3/t17-,18-,23+,24+/m0/s1
InChIKey ORPAPYNMUNVYJC-XZUXRINTSA-N
Molecular Weight 414.498 g/mol
SMILES Oc1c(cc([C@@]2([C@@]3([C@@]([C@@](c4cc(c(c(c4)OC)O)CC)(OC3)[H])(CO2)[H])[H])[H])cc1CC)OC
SPLASH splash10-03di-0005900000-71f6dbebd3289d3d238d
Source of Spectrum H-84-162-3
Synonyms 2,6-bis(3'-Ethyl-4'-hydroxy-5'-methoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane 4-[(1S,3aR,4S,6aR)-4-(3-ethyl-4-hydroxy-5-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-ethyl-6-methoxyphenol
Wiley ID 847443