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Leaserone
SpectraBase Compound ID 9YWdNpi0J5R
InChI InChI=1S/C21H22O5/c1-12(2)9-10-14-16(25-3)11-15(22)17-18(23)19(24)20(26-21(14)17)13-7-5-4-6-8-13/h4-9,11,19-20,22,24H,10H2,1-3H3/t19-,20+/m0/s1
InChIKey KYQFKDZILDYMMX-VQTJNVASSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtcyNeiDxqe
Name Leaserone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-12(2)9-10-14-16(25-3)11-15(22)17-18(23)19(24)20(26-21(14)17)13-7-5-4-6-8-13/h4-9,11,19-20,22,24H,10H2,1-3H3/t19-,20+/m0/s1
InChIKey KYQFKDZILDYMMX-VQTJNVASSA-N
Molecular Weight 354.402 g/mol
SMILES O[C@@]1([C@](Oc2c(c(cc(c2CC=C(C)C)OC)O)C1=O)(c1ccccc1)[H])[H]
SPLASH splash10-1029-0966000000-feef6b1696719536515a
Source of Spectrum KK-63-5954-18
Synonyms (2R,3R)-3,5-dihydroxy-7-methoxy-8-(3-methyl-2-butenyl)-2-phenyl-2,3-dihydro-4H-chromen-4-one
Wiley ID 1344673