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Spiro[2,6-dioxabicyclo[3.1.0]hexane-4,2'(1'H)-pentalen]-3-one, hexahydro-1',3'a,4',6'a-tetramethyl-, [1'S-[1'.alpha.,2'.beta.(1R*,5S*),3'a.alpha.,4'.alpha.,6'a.alpha.]]-
SpectraBase Compound ID 3nQwZdE3kyy
InChI InChI=1S/C15H22O3/c1-8-5-6-13(3)9(2)15(7-14(8,13)4)10-11(17-10)18-12(15)16/h8-11H,5-7H2,1-4H3/t8-,9+,10+,11+,13+,14+,15-/m1/s1
InChIKey HAOKVWMBCLCRQJ-NFWWODKKSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQ5vUeBwg3J
Name Spiro[2,6-dioxabicyclo[3.1.0]hexane-4,2'(1'H)-pentalen]-3-one, hexahydro-1',3'a,4',6'a-tetramethyl-, [1'S-[1'.alpha.,2'.beta.(1R*,5S*),3'a.alpha.,4'.alpha.,6'a.alpha.]]-
Alternate Name(s) (1R,1'S,2R,3'aS,4'R,5S,6'aS)-1',3'a,4',6'a-tetramethyl-hexahydro-1'H-4,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-pentalene]-3-one Ptychanolide Spiro[2,6-dioxa-5-oxo-bicyclo[3.1.0]hexane,-4,2'(1'H)-1',3'a,4',6'a-tetramethyl-hexahydropentalene],
CAS Registry Number 81674-82-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-8-5-6-13(3)9(2)15(7-14(8,13)4)10-11(17-10)18-12(15)16/h8-11H,5-7H2,1-4H3/t8-,9+,10+,11+,13+,14+,15-/m1/s1
InChIKey HAOKVWMBCLCRQJ-NFWWODKKSA-N
Molecular Weight 250.338 g/mol
SMILES [C@]12([C@@]3([C@]([H])(OC2=O)O3)[H])[C@]([C@@]2(CC[C@]([C@@]2(C1)C)(C)[H])C)(C)[H]
SPLASH splash10-0a4i-0940000000-99bbbd6302ed8f03a875
Source of Spectrum AJ-56-1131-4
Wiley ID 1253695