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(5S,6S)-12-methyl-7-methylol-5,6-dihydrobenz[a]anthracene-5,6-diol
SpectraBase Compound ID 7dNesp1pmCR
InChI InChI=1S/C20H18O3/c1-11-12-6-2-3-7-13(12)16(10-21)18-17(11)14-8-4-5-9-15(14)19(22)20(18)23/h2-9,19-23H,10H2,1H3/t19-,20-/m0/s1
InChIKey GOVKPSXTEUZTIT-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 7dv0PYKd7xE
Name (5S,6S)-12-methyl-7-methylol-5,6-dihydrobenz[a]anthracene-5,6-diol
Alternate Name(s) (5S,6S)-7-(hydroxymethyl)-12-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-(hydroxymethyl)-12-methyl-, trans- trans-5,6-dihydro-7-(hydroxymethyl)-12-methylbenz(a)anthracene-5,6-diol trans-7-hydroxymethyl-12-methylbenz(a)anthracene-5,6-dihydrodiol BRN 2510010
CAS Registry Number 40495-42-9
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)18-17(11)14-8-4-5-9-15(14)19(22)20(18)23/h2-9,19-23H,10H2,1H3/t19-,20-/m0/s1
InChIKey GOVKPSXTEUZTIT-PMACEKPBSA-N
Molecular Weight 306.361 g/mol
SMILES OCc1c2c(c(c-3c1[C@@]([C@](c1c3cccc1)(O)[H])(O)[H])C)cccc2
SPLASH splash10-05ot-0090000000-76b3e75350119d65ff79
Source of Spectrum W5-1989-8376-1
Wiley ID 1308465