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CALANOLIDE-E2
SpectraBase Compound ID 8OWI2RGbtpY
InChI InChI=1S/C22H28O6/c1-6-7-13-10-15(24)27-21-16(13)20-14(8-9-22(4,5)28-20)19(26)17(21)18(25)11(2)12(3)23/h8-9,11-13,23,26H,6-7,10H2,1-5H3
InChIKey QVXVUACNNIWBIU-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7s9tezp4BLL
Name 9,10-seco-8b,10-dihydroxy-12-oxocalanolide A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-6-7-13-10-15(24)27-21-16(13)20-14(8-9-22(4,5)28-20)19(26)17(21)18(25)11(2)12(3)23/h8-9,11-13,23,26H,6-7,10H2,1-5H3
InChIKey QVXVUACNNIWBIU-UHFFFAOYSA-N
Molecular Weight 388.460 g/mol
SMILES Oc1c2c(c3c(c1C(C(C(O)C)C)=O)OC(CC3CCC)=O)OC(C=C2)(C)C
SPLASH splash10-00di-0009000000-02d30a07ba00ebc9bbda
Source of Spectrum F2-35-2743-8
Synonyms 5-Hydroxy-6-(3-hydroxy-2-methyl-1-oxobutyl)-2,2-dimethyl-10-propyl-9,10-dihydropyrano[2,3-f][1]benzopyran-8-one 5-Hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydropyrano[2,3-f]chromen-8-one 2,2-Dimethyl-6-(2-methyl-3-oxidanyl-butanoyl)-5-oxidanyl-10-propyl-9,10-dihydropyrano[2,3-f]chromen-8-one
Wiley ID 1574140