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(8S,9S)-12-methyl-7-methylol-8,9-dihydrobenz[a]anthracene-8,9-diol
SpectraBase Compound ID KMaeCe0qouc
InChI InChI=1S/C20H18O3/c1-11-13-8-9-17(22)20(23)19(13)16(10-21)15-7-6-12-4-2-3-5-14(12)18(11)15/h2-9,17,20-23H,10H2,1H3/t17-,20+/m0/s1
InChIKey SIKXDYPQKCQBHX-FXAWDEMLSA-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 4P3i68iiQa
Name (8S,9S)-12-methyl-7-methylol-8,9-dihydrobenz[a]anthracene-8,9-diol
CAS Registry Number 70234-58-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O3
InChI InChI=1S/C20H18O3/c1-11-13-8-9-17(22)20(23)19(13)16(10-21)15-7-6-12-4-2-3-5-14(12)18(11)15/h2-9,17,20-23H,10H2,1H3/t17-,20+/m0/s1
InChIKey SIKXDYPQKCQBHX-FXAWDEMLSA-N
Molecular Weight 306.361 g/mol
SMILES OCc1c2c(c(c3c1[C@@]([C@](C=C3)(O)[H])(O)[H])C)c1c(cc2)cccc1
SPLASH splash10-0pxu-0090000000-6ed91903fb5ba7b750b7
Source of Spectrum W5-1989-8378-1
Synonyms (8S,9S)-7-(hydroxymethyl)-12-methyl-8,9-dihydrobenzo[a]anthracene-8,9-diol Benz(a)anthracene-8,9-diol, 8,9-dihydro-7-(hydroxymethyl)-12-methyl-, trans- trans-7-(hydroxymethyl)-12-methylbenz(a)anthracene-8,9-dihydrodiol trans-8,9-dihydro-7-(hydroxymethyl)-12-methylbenz(a)anthracene-8,9-diol CCRIS 1084
Wiley ID 1308466