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Cassialactone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Cassialactone
SpectraBase Compound ID J9pAiguV4o0
InChI InChI=1S/C16H16O6/c1-16(20)6-9-3-8-4-10(21-2)5-11(17)12(8)14(18)13(9)15(19)22-7-16/h3-5,17-18,20H,6-7H2,1-2H3
InChIKey SOTIRKODYDVBCJ-UHFFFAOYSA-N
Mol Weight 304.3 g/mol
Molecular Formula C16H16O6
Exact Mass 304.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUvhclIDMfV
Name 4,10,11-Trihydroxy-8-methoxy-4-methyl-4,5-dihydronaphtho[2,3-c]oxepin-1(3H)-one
Alternate Name(s) 4,10,11-trihydroxy-8-methoxy-4-methyl-3,5-dihydrobenzo[h][2]benzoxepin-1-one 8-Methoxy-4-methyl-4,10,11-tris(oxidanyl)-3,5-dihydrobenzo[h][2]benzoxepin-1-one Cassialactone
CAS Registry Number 80489-64-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O6
InChI InChI=1S/C16H16O6/c1-16(20)6-9-3-8-4-10(21-2)5-11(17)12(8)14(18)13(9)15(19)22-7-16/h3-5,17-18,20H,6-7H2,1-2H3
InChIKey SOTIRKODYDVBCJ-UHFFFAOYSA-N
Molecular Weight 304.298 g/mol
SMILES Oc1c2c(cc(cc2cc2CC(C)(COC(c12)=O)O)OC)O
SPLASH splash10-0zfr-0095000000-b4b9a1ecb69b1ad1f1ed
Source of Spectrum W5-1989-33057-32479
Wiley ID 1306303