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Methyl (.alpha.R*,1R*,3aR*,7aS*)-Hexahydro-.alpha.-(1-hydroxy-1-methylethyl)-3a-methyl-7-methylene-1-indanacetate
SpectraBase Compound ID 5T2BOR4685h
InChI InChI=1S/C17H28O3/c1-11-7-6-9-17(4)10-8-12(13(11)17)14(15(18)20-5)16(2,3)19/h12-14,19H,1,6-10H2,2-5H3/t12-,13-,14+,17-/m1/s1
InChIKey UMNZYHQNKZDZAP-VWPFQQQWSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YZDwUm9nx1
Name Methyl (.alpha.R*,1R*,3aR*,7aS*)-Hexahydro-.alpha.-(1-hydroxy-1-methylethyl)-3a-methyl-7-methylene-1-indanacetate
CAS Registry Number 139017-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-11-7-6-9-17(4)10-8-12(13(11)17)14(15(18)20-5)16(2,3)19/h12-14,19H,1,6-10H2,2-5H3/t12-,13-,14+,17-/m1/s1
InChIKey UMNZYHQNKZDZAP-VWPFQQQWSA-N
Molecular Weight 280.408 g/mol
SMILES OC([C@@]([C@]1([C@@]2([C@@](CCCC2=C)(C)CC1)[H])[H])(C(=O)OC)[H])(C)C
SPLASH splash10-0a4i-1920000000-217850b39899ed9ac4b6
Source of Spectrum J-57-2025-35
Synonyms Methyl (.alpha.R*,1S*,3aS*,7aR*)-hexahydro-.alpha.-(1-hydroxy-1-methylethyl)-3a-methyl-7-methylene-1-indanacetate Methyl (2R)-2-[(1R,3aR,7aS)-3a-methyl-7-methyleneoctahydro-1H-inden-1-yl]-3-hydroxy-3-methylbutanoate
Wiley ID 1284206