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(E)-3,4-Dihydroxy-12-methyl-3,4-dihydrobenz(a)anthracene-7-methanol
SpectraBase Compound ID A2ZjdxJQxLM
InChI InChI=1S/C20H18O3/c1-11-12-4-2-3-5-13(12)17(10-21)15-6-7-16-14(19(11)15)8-9-18(22)20(16)23/h2-9,18,20-23H,10H2,1H3/t18-,20-/m0/s1
InChIKey LXAPGYIZFBDBIB-ICSRJNTNSA-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 KcvKGg4gdRV
Name (E)-3,4-Dihydroxy-12-methyl-3,4-dihydrobenz(a)anthracene-7-methanol
CAS Registry Number 69260-84-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O3
InChI InChI=1S/C20H18O3/c1-11-12-4-2-3-5-13(12)17(10-21)15-6-7-16-14(19(11)15)8-9-18(22)20(16)23/h2-9,18,20-23H,10H2,1H3/t18-,20-/m0/s1
InChIKey LXAPGYIZFBDBIB-ICSRJNTNSA-N
Molecular Weight 306.361 g/mol
SMILES O[C@]1(c2ccc3c(c2C=C[C@@]1(O)[H])c(c1c(c3CO)cccc1)C)[H]
SPLASH splash10-014i-0091000000-b521f18a85d7d1facdef
Source of Spectrum W5-1989-8381-1
Synonyms Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl- Benz(a)anthracene-7-methanol, 3,4-dihydro-3,4-dihydroxy-12-methyl-, (E)- trans-3,4-dihydroxy-3,4-dihydro-7-hydroxymethyl-12-methylbenz(a)anthracene trans-7-hydroxymethyl-12-methylbenz(a)anthracene-3,4-dihydrodiol BRN 2478339
Wiley ID 1308464