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(5S,6S)-12-(hydroxymethyl)-7-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol
SpectraBase Compound ID Dksi2UHiydM
InChI InChI=1S/C20H18O3/c1-11-12-6-2-3-7-13(12)16(10-21)18-14-8-4-5-9-15(14)19(22)20(23)17(11)18/h2-9,19-23H,10H2,1H3/t19-,20-/m0/s1
InChIKey QOHPSSDCGJLZCM-PMACEKPBSA-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 JzyY6iBc29q
Name (5S,6S)-12-(hydroxymethyl)-7-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol
CAS Registry Number 74257-12-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O3
InChI InChI=1S/C20H18O3/c1-11-12-6-2-3-7-13(12)16(10-21)18-14-8-4-5-9-15(14)19(22)20(23)17(11)18/h2-9,19-23H,10H2,1H3/t19-,20-/m0/s1
InChIKey QOHPSSDCGJLZCM-PMACEKPBSA-N
Molecular Weight 306.361 g/mol
SMILES OCc1c2c(c(c3c1-c1c([C@@]([C@]3(O)[H])(O)[H])cccc1)C)cccc2
SPLASH splash10-0gba-0090000000-9e28a409b8e49e057dd2
Source of Spectrum W5-1989-8370-1
Synonyms (5S,6S)-7-methyl-12-methylol-5,6-dihydrobenz[a]anthracene-5,6-diol Benz(a)anthracene-5,6-diol, 5,6-dihydro-12-(hydroxymethyl)-7-methyl-, trans-
Wiley ID 1308467