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Hexahydro-obtisufolin
SpectraBase Compound ID 19R3LBUSu6Y
InChI InChI=1S/C20H28O3/c1-7-20(4,5)16-12-14-9-11-17(22-6)15(10-8-13(2)3)18(14)23-19(16)21/h9,11-13H,7-8,10H2,1-6H3
InChIKey ZBCBULSMMZIADU-UHFFFAOYSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdMxofEmZKu
Name Hexahydro-obtisufolin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-7-20(4,5)16-12-14-9-11-17(22-6)15(10-8-13(2)3)18(14)23-19(16)21/h9,11-13H,7-8,10H2,1-6H3
InChIKey ZBCBULSMMZIADU-UHFFFAOYSA-N
Molecular Weight 316.441 g/mol
SMILES C1(Oc2c(CCC(C)C)c(OC)ccc2C=C1C(CC)(C)C)=O
SPLASH splash10-000i-0092000000-498fc17e1dc0a1b16593
Source of Spectrum X4-24-158-0
Synonyms 3-(.alpha.,.alpha'.-Dimethylpropyl)-7-methoxy-8-(3'-methylbutyl)-coumarin 8-isopentyl-7-methoxy-3-tert-pentyl-2H-chromen-2-one
Wiley ID 1586138