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(1S,5S,6S,7R)-6-(hydroxymethyl)-(E)-3-[4-(tert-butoxycarbonyl)-3-oxabutylidene]-7-[(tetrahydropyranyl)oxy]bicyclo[3.3.0]octane

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(1S,5S,6S,7R)-6-(hydroxymethyl)-(E)-3-[4-(tert-butoxycarbonyl)-3-oxabutylidene]-7-[(tetrahydropyranyl)oxy]bicyclo[3.3.0]octane
SpectraBase Compound ID ADdLz1tndrk
InChI InChI=1S/C22H36O6/c1-22(2,3)28-20(24)14-25-9-7-15-10-16-12-19(18(13-23)17(16)11-15)27-21-6-4-5-8-26-21/h7,16-19,21,23H,4-6,8-14H2,1-3H3/b15-7+/t16-,17-,18+,19+,21?/m0/s1
InChIKey LTBRJCAEOLKBSY-KRPVZCCXSA-N
Mol Weight 396.5 g/mol
Molecular Formula C22H36O6
Exact Mass 396.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24kOihRbzcv
Name (1S,5S,6S,7R)-6-(hydroxymethyl)-(E)-3-[4-(tert-butoxycarbonyl)-3-oxabutylidene]-7-[(tetrahydropyranyl)oxy]bicyclo[3.3.0]octane
CAS Registry Number 106937-27-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O6
InChI InChI=1S/C22H36O6/c1-22(2,3)28-20(24)14-25-9-7-15-10-16-12-19(18(13-23)17(16)11-15)27-21-6-4-5-8-26-21/h7,16-19,21,23H,4-6,8-14H2,1-3H3/b15-7+/t16-,17-,18+,19+,21?/m0/s1
InChIKey LTBRJCAEOLKBSY-KRPVZCCXSA-N
Molecular Weight 396.524 g/mol
SMILES OC[C@]1([C@](OC2OCCCC2)(C[C@]2([C@@]1(C\C(=C\COCC(OC(C)(C)C)=O)C2)[H])[H])[H])[H]
SPLASH splash10-01pa-9000000000-fd1ee387f6fcfd0df0be
Source of Spectrum J-53-1230-18
Wiley ID 1367488