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SCANDINONE
SpectraBase Compound ID JG8uDVP9UMT
InChI InChI=1S/C26H26O5/c1-15(2)6-11-18-23-19(12-13-26(3,4)31-23)25-21(24(18)29-5)22(28)20(14-30-25)16-7-9-17(27)10-8-16/h6-10,12-14,27H,11H2,1-5H3
InChIKey OUZCFMSJGDEXRT-UHFFFAOYSA-N
Mol Weight 418.49 g/mol
Molecular Formula C26H26O5
Exact Mass 418.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMXv6wmOUNJ
Name 4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-
CAS Registry Number 5233-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O5
InChI InChI=1S/C26H26O5/c1-15(2)6-11-18-23-19(12-13-26(3,4)31-23)25-21(24(18)29-5)22(28)20(14-30-25)16-7-9-17(27)10-8-16/h6-10,12-14,27H,11H2,1-5H3
InChIKey OUZCFMSJGDEXRT-UHFFFAOYSA-N
Molecular Weight 418.489 g/mol
SMILES Oc1ccc(cc1)C1=COc2c3C=CC(C)(C)Oc3c(CC=C(C)C)c(c2C1=O)OC
SPLASH splash10-0udi-0005900000-09c1bd9ca9a3eaa8892e
Source of Spectrum Y-2-268-3
Synonyms 3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-pyrano[2,3-f]chromen-4-one 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-pyrano[2,3-h][1]benzopyranone 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one Scandinone
Wiley ID 1377357