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7-Oxabicyclo[4.3.1]decan-8-one, 2-[2-hydroxy-2-methyl-5-(1-methylethyl)cyclopentyl]-1,4-dimethyl-, [1R-[1.alpha.,2.alpha.(1R*,2S*,5S*),4.alpha.,6.alpha.]]-

View entire compound with spectra: 1 MS (GC)

7-Oxabicyclo[4.3.1]decan-8-one, 2-[2-hydroxy-2-methyl-5-(1-methylethyl)cyclopentyl]-1,4-dimethyl-, [1R-[1.alpha.,2.alpha.(1R*,2S*,5S*),4.alpha.,6.alpha.]]-
SpectraBase Compound ID Kh4go0rWyrt
InChI InChI=1S/C20H34O3/c1-12(2)15-6-7-20(5)18(15)16-9-13(3)8-14(21)10-19(16,4)11-17(22)23-20/h12-16,18,21H,6-11H2,1-5H3/t13?,14-,15-,16?,18?,19+,20-/m1/s1
InChIKey MVLHXGCLKQEBEP-AGDGOULCSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XhJUpPQISf
Name 7-Oxabicyclo[4.3.1]decan-8-one, 2-[2-hydroxy-2-methyl-5-(1-methylethyl)cyclopentyl]-1,4-dimethyl-, [1R-[1.alpha.,2.alpha.(1R*,2S*,5S*),4.alpha.,6.alpha.]]-
CAS Registry Number 67068-06-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-12(2)15-6-7-20(5)18(15)16-9-13(3)8-14(21)10-19(16,4)11-17(22)23-20/h12-16,18,21H,6-11H2,1-5H3/t13?,14-,15-,16?,18?,19+,20-/m1/s1
InChIKey MVLHXGCLKQEBEP-AGDGOULCSA-N
Molecular Weight 322.489 g/mol
SMILES O[C@]1(C[C@@]2(C(C3[C@](OC(C2)=O)(CC[C@@]3(C(C)C)[H])C)CC(C1)C)C)[H]
SPLASH splash10-01r6-8900000000-5c3882d818fe78d241b5
Source of Spectrum KC-1979-2716-0
Synonyms (1R,3aR,6aS,8R)-8-hydroxy-1-isopropyl-3a,6a,10-trimethyldodecahydrocyclohepta[d]cyclopenta[b]oxepin-5(1H)-one 6.beta.-hydroxy-4,8.alpha.,12.beta.-trimethyl-15.alpha.-isopropyl-11-oxatricyclo[10.3.0.0(2,8)]pentadecan-10-one
Wiley ID 1322017