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(1R,3S)-10-hydroxy-7-methoxy-1,3,8-trimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione
SpectraBase Compound ID CeewUN1jrdD
InChI InChI=1S/C17H18O5/c1-7-5-10-6-11-13(16(20)12(10)9(3)22-7)14(18)8(2)17(21-4)15(11)19/h6-7,9,20H,5H2,1-4H3/t7-,9+/m0/s1
InChIKey WKJRANMDJQSBBO-IONNQARKSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gw8PfYKmg8P
Name (1R,3S)-10-hydroxy-7-methoxy-1,3,8-trimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione
CAS Registry Number 124821-09-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-7-5-10-6-11-13(16(20)12(10)9(3)22-7)14(18)8(2)17(21-4)15(11)19/h6-7,9,20H,5H2,1-4H3/t7-,9+/m0/s1
InChIKey WKJRANMDJQSBBO-IONNQARKSA-N
Molecular Weight 302.326 g/mol
SMILES Oc1c2C(C(C)=C(C(c2cc2c1[C@](O[C@@](C)(C2)[H])(C)[H])=O)OC)=O
SPLASH splash10-000i-0093000000-ee94efdc51cb2dec0f92
Source of Spectrum J-55-1470-19
Synonyms (1R,3S)-10-hydroxy-7-methoxy-1,3,8-trimethyl-3,4-dihydro-1H-benzo[g][2]benzopyran-6,9-dione (1R,3S)-10-hydroxy-7-methoxy-1,3,8-trimethyl-3,4-dihydro-1H-benz[g]isochromene-6,9-quinone (1R,3S)-7-methoxy-1,3,8-trimethyl-10-oxidanyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione
Wiley ID 1304660