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Cyperusol A1
SpectraBase Compound ID KYQ28gmM4dU
InChI InChI=1S/C15H22O3/c1-9(2)10-5-6-14(3,17)13-11(7-10)15(4,18)8-12(13)16/h10,17-18H,1,5-8H2,2-4H3/t10-,14+,15-/m1/s1
InChIKey QPSIPXFEOVTZFP-WKPIXPDZSA-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 FWG0HCuc027
Name Cyperusol A1
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9(2)10-5-6-14(3,17)13-11(7-10)15(4,18)8-12(13)16/h10,17-18H,1,5-8H2,2-4H3/t10-,14+,15-/m1/s1
InChIKey QPSIPXFEOVTZFP-WKPIXPDZSA-N
Instrument Name JEOL JMS-GCMATE
Ionization Type EI
Literature Reference DOI 10.1021/np030368k
Molecular Weight 250.338 g/mol
Optical Rotation [a]D23 = +12.5 (c = 0.50, MeOH)
Reported Formula C15H22O3
SMILES O[C@@]1(C2=C([C@@](CC2=O)(O)C)C[C@@](CC1)(C(=C)C)[H])C
SPLASH splash10-000i-0090000000-cbc4d440dd6302ff4c49
Source of Spectrum G4-67-573-1
Wiley ID 1881705