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1,4-Methanonaphthacene-6,11-dione, 1,4,6a,7,10,10a-hexahydro-5,12-dihydroxy-8,9-dimethyl-
SpectraBase Compound ID 5vl0cvv1f0P
InChI InChI=1S/C21H20O4/c1-8-5-12-13(6-9(8)2)19(23)17-16(18(12)22)20(24)14-10-3-4-11(7-10)15(14)21(17)25/h3-4,10-13,24-25H,5-7H2,1-2H3
InChIKey OMCNRQZBINCGFG-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTO2gxHJ3YR
Name 1,4-Methanonaphthacene-6,11-dione, 1,4,6a,7,10,10a-hexahydro-5,12-dihydroxy-8,9-dimethyl-
CAS Registry Number 107750-69-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-8-5-12-13(6-9(8)2)19(23)17-16(18(12)22)20(24)14-10-3-4-11(7-10)15(14)21(17)25/h3-4,10-13,24-25H,5-7H2,1-2H3
InChIKey OMCNRQZBINCGFG-UHFFFAOYSA-N
Molecular Weight 336.387 g/mol
SMILES Oc1c2c(c(c3c1C(C1C(C3=O)CC(=C(C1)C)C)=O)O)C1CC2C=C1
SPLASH splash10-0f79-0009000000-ac100394e0e6c758f69a
Source of Spectrum F-42-4317-17
Synonyms 3,14-dihydroxy-8,9-dimethylpentacyclo[14.2.1.0(2,15).0(4,13).0(6,11)]nonadeca-2(15),3,8,13,17-pentaene-5,12-dione 5,12-Dihydroxy-8,9-dimethyl-1,4,6a,7,10,10a-hexahydro-1,4-methano-6,11-naphthacenedione
Wiley ID 1332621