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4,16-Dioxatricyclo[11.2.1.13,6]heptadec-6-ene-5,11,14-trione, 17-hydroxy-1-methyl-9-(1-methylethenyl)-, (1R*,3R*,9S*,13R*,17R*)-(-)-
SpectraBase Compound ID BJIlK1LeNrE
InChI InChI=1S/C19H24O6/c1-10(2)11-4-5-13-17(22)16(24-18(13)23)9-19(3)8-14(21)15(25-19)7-12(20)6-11/h5,11,15-17,22H,1,4,6-9H2,2-3H3/b13-5+/t11-,15+,16+,17+,19-/m0/s1
InChIKey OFFWLZVJUHOBDO-UMBQJWNWSA-N
Mol Weight 348.4 g/mol
Molecular Formula C19H24O6
Exact Mass 348.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBZV5H4VDCd
Name 4,16-Dioxatricyclo[11.2.1.13,6]heptadec-6-ene-5,11,14-trione, 17-hydroxy-1-methyl-9-(1-methylethenyl)-, (1R*,3R*,9S*,13R*,17R*)-(-)-
Alternate Name(s) (1R,3R,9S,13R,17R)-17-hydroxy-9-isopropenyl-1-methyl-4,16-dioxatricyclo[11.2.1.1(3,6)]heptadec-6-ene-5,11,14-trione (4R*,8S*,11R*,13S*,14R*)-14-hydroxy-4-isopropenyl-11-methyl-6,9-dioxo-8,11-epoxycyclotetradec-1-ene-1,13-carbolactone
CAS Registry Number 68902-15-8
Comments Edited after expert review for air contamination - Original record with SpectrumID 1340569 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O6
InChI InChI=1S/C19H24O6/c1-10(2)11-4-5-13-17(22)16(24-18(13)23)9-19(3)8-14(21)15(25-19)7-12(20)6-11/h5,11,15-17,22H,1,4,6-9H2,2-3H3/b13-5+/t11-,15+,16+,17+,19-/m0/s1
InChIKey OFFWLZVJUHOBDO-UMBQJWNWSA-N
Molecular Weight 348.395 g/mol
SMILES O[C@]1([C@]2(C[C@]3(O[C@]([H])(CC(C[C@](C\C=C/1C(O2)=O)(C(=C)C)[H])=O)C(C3)=O)C)[H])[H]
SPLASH splash10-0005-9201000000-8aa9f518669c31c41032
Source of Spectrum B-31-2054-0
Wiley ID 1820876