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SNZRAKOFDSGBRF-GHALXZIGSA-N
SpectraBase Compound ID 541bacDpwcI
InChI InChI=1S/C20H22O6/c1-8-6-12(21)14-9(2)7-13(24-19(23)20(5)11(4)26-20)16-10(3)18(22)25-17(16)15(8)14/h6,11,13,15-17H,3,7H2,1-2,4-5H3/t11?,13-,15+,16-,17-,20?/m1/s1
InChIKey SNZRAKOFDSGBRF-GHALXZIGSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6deVj7cxDXw
Name Guaianolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-8-6-12(21)14-9(2)7-13(24-19(23)20(5)11(4)26-20)16-10(3)18(22)25-17(16)15(8)14/h6,11,13,15-17H,3,7H2,1-2,4-5H3/t11?,13-,15+,16-,17-,20?/m1/s1
InChIKey SNZRAKOFDSGBRF-GHALXZIGSA-N
Molecular Weight 358.390 g/mol
SMILES C1(OC1C)(C(O[C@]1([C@@]2([C@@]([C@]3(C(C)=CC(C3=C(C1)C)=O)[H])(OC(C2=C)=O)[H])[H])[H])=O)C
SPLASH splash10-052f-5079000000-1e3d856312df21e3cd6a
Source of Spectrum X2-50-28-1
Synonyms 6-[2',3'-Epoxyangeloyl]-11-methylene-4,10-dimethyl-2,12-dioxo-13-oxa-trideca-1(10),3-diene
Wiley ID 1602158