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Spiro[4.5]dec-7-ene-8-carboxylic acid, 9-hydroxy-1-methyl-4-(1-methyl-4-oxobutyl)-, methyl ester, [1S-[1.alpha.,4.beta.(S*),5.alpha.(R*)]]-
SpectraBase Compound ID 8SnRSye1Gnt
InChI InChI=1S/C18H28O4/c1-12(5-4-10-19)15-7-6-13(2)18(15)9-8-14(16(20)11-18)17(21)22-3/h8,10,12-13,15-16,20H,4-7,9,11H2,1-3H3/t12?,13-,15+,16+,18-/m0/s1
InChIKey JDAWTTCDMZAEKQ-PQVXMHMQSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AV9EmIBFVjn
Name Spiro[4.5]dec-7-ene-8-carboxylic acid, 9-hydroxy-1-methyl-4-(1-methyl-4-oxobutyl)-, methyl ester, [1S-[1.alpha.,4.beta.(S*),5.alpha.(R*)]]-
CAS Registry Number 90363-80-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O4
InChI InChI=1S/C18H28O4/c1-12(5-4-10-19)15-7-6-13(2)18(15)9-8-14(16(20)11-18)17(21)22-3/h8,10,12-13,15-16,20H,4-7,9,11H2,1-3H3/t12?,13-,15+,16+,18-/m0/s1
InChIKey JDAWTTCDMZAEKQ-PQVXMHMQSA-N
Molecular Weight 308.418 g/mol
SMILES O[C@@]1(C[C@@]2([C@](CC[C@@]2(C)[H])(C(CCC=O)C)[H])CC=C1C(=O)OC)[H]
SPLASH splash10-002b-0930000000-4d21bdace3660304e0be
Source of Spectrum B-37-643-0
Synonyms Methyl (1S,4R,5S,9R)-9-hydroxy-1-methyl-4-(1-methyl-4-oxobutyl)spiro[4.5]dec-7-ene-8-carboxylate Methyl ester of acorane isoprenologue aldehyde
Wiley ID 1309909