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12-(Hydroxymethyl)-7-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
SpectraBase Compound ID 5KDm7JHoZm3
InChI InChI=1S/C20H18O3/c1-11-12-4-2-3-5-14(12)17(10-21)19-13(11)6-7-16-15(19)8-9-18(22)20(16)23/h2-9,18,20-23H,10H2,1H3
InChIKey KJYHPFPBANRKJS-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C20H18O3
Exact Mass 306.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQR0aT6e1Ix
Name 12-(Hydroxymethyl)-7-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
CAS Registry Number 69260-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O3
InChI InChI=1S/C20H18O3/c1-11-12-4-2-3-5-14(12)17(10-21)19-13(11)6-7-16-15(19)8-9-18(22)20(16)23/h2-9,18,20-23H,10H2,1H3
InChIKey KJYHPFPBANRKJS-UHFFFAOYSA-N
Molecular Weight 306.361 g/mol
SMILES OCc1c2ccccc2c(c2ccc3c(C=CC(C3O)O)c12)C
SPLASH splash10-0pxu-0091000000-30eab9c360a279a809d9
Source of Spectrum W5-1989-8384-1
Synonyms (E)-3,4-Dihydroxy-7-methyl-3,4-dihydrobenz(a)anthracene-12-methanol 3,4-Dihydro-7-methyl-12-hydroxymethylbenz[a]anthracene-trans-3,4-diol 7-Methyl-12-methylol-3,4-dihydrobenz[a]anthracene-3,4-diol Benz(a)anthracene-12-methanol, 3,4-dihydro-3,4-dihydroxy-7-methyl-, (E)- Benz(a)anthracene-3,4-diol, 3,4-dihydro-12-(hydroxymethyl)-7-methyl-, trans- trans-12-(hydroxymethyl)-7-methylbenz(a)anthracene-3,4-dihydrodiol trans-3,4-Dihydroxy-3,4-dihydro-7-methyl-12-hydroxymethylbenz(a)anthracene CCRIS 1085
Wiley ID 1308463