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(8S,9S)-12-(hydroxymethyl)-7-methyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
SpectraBase Compound ID HPxFsevHCTZ
InChI InChI=1S/C20H18O3/c1-11-13-7-6-12-4-2-3-5-14(12)19(13)16(10-21)15-8-9-17(22)20(23)18(11)15/h2-9,17,20-23H,10H2,1H3/t17-,20+/m0/s1
InChIKey JKOCLQQMJRIWJU-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 Gd741GmBzqR
Name (8S,9S)-12-(hydroxymethyl)-7-methyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
CAS Registry Number 70206-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O3
InChI InChI=1S/C20H18O3/c1-11-13-7-6-12-4-2-3-5-14(12)19(13)16(10-21)15-8-9-17(22)20(23)18(11)15/h2-9,17,20-23H,10H2,1H3/t17-,20+/m0/s1
InChIKey JKOCLQQMJRIWJU-FXAWDEMLSA-N
Molecular Weight 306.361 g/mol
SMILES OCc1c2c([C@@]([C@](C=C2)(O)[H])(O)[H])c(c2c1c1c(cc2)cccc1)C
SPLASH splash10-0pxu-0090000000-21447168b176a28fe037
Source of Spectrum W5-1989-8375-1
Synonyms (8S,9S)-7-methyl-12-methylol-8,9-dihydrobenz[a]anthracene-8,9-diol Benz(a)anthracene-8,9-diol, 8,9-dihydro-12-(hydroxymethyl)-7-methyl-, trans- trans-12-hydroxymethyl-7-methylbenz(a)anthracene-8,9-dihydrodiol trans-8,9-dihydro-12-(hydroxymethyl)-7-methylbenz(a)anthracene-8,9-diol
Wiley ID 1308468