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(+)-Ptaquilosin
SpectraBase Compound ID JK3C8w8N6mb
InChI InChI=1S/C14H20O3/c1-8-6-14(17)7-9(2)13(4-5-13)12(3,16)11(14)10(8)15/h7-8,11,16-17H,4-6H2,1-3H3/t8?,11-,12+,14-/m1/s1
InChIKey HDWVDSGSKCEKMA-MBJFHXGBSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JblJcLnyuoN
Name (+)-Ptaquilosin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-8-6-14(17)7-9(2)13(4-5-13)12(3,16)11(14)10(8)15/h7-8,11,16-17H,4-6H2,1-3H3/t8?,11-,12+,14-/m1/s1
InChIKey HDWVDSGSKCEKMA-MBJFHXGBSA-N
Molecular Weight 236.311 g/mol
SMILES O[C@@]12CC(C([C@@]1([C@@](C1(C(=C2)C)CC1)(O)C)[H])=O)C
SPLASH splash10-000j-0960000000-f54665771466be7c41bc
Source of Spectrum C-115-3064-2
Synonyms (3'aS,4'S,7'aR)-4',7'a-dihydroxy-2',4',6'-trimethyl-1',2',3',3'a,4',7'a-hexahydrospiro[cyclopropane-1,5'-indene]-3'-one
Wiley ID 1238452