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Benz[j]aceanthrylene-11,12-diol, 1,2,11,12-tetrahydro-3-methyl-
SpectraBase Compound ID Jp2kYCeQlcD
InChI InChI=1S/C21H18O2/c1-11-6-7-12-10-17-14-4-2-3-5-15(14)20(22)21(23)19(17)16-9-8-13(11)18(12)16/h2-7,10,20-23H,8-9H2,1H3
InChIKey VYBHBOMWVZUGOW-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C21H18O2
Exact Mass 302.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vKyy77Rc2G
Name Benz[j]aceanthrylene-11,12-diol, 1,2,11,12-tetrahydro-3-methyl-
Alternate Name(s) 3-Methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylene-11,12-diol 11,12-Cholanthrenediol, 11,12-dihydro-3-methyl- 3-Methyl-1,2,11,12-tetrahydrobenz[j]aceanthrylene-11,12-diol 3-Methylcholanthrene-11,12-dihydrodiol trans-1,2,11,12-tetrahydro-3-methylbenz(j)aceanthrylene-11,12-diol
CAS Registry Number 3343-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O2
InChI InChI=1S/C21H18O2/c1-11-6-7-12-10-17-14-4-2-3-5-15(14)20(22)21(23)19(17)16-9-8-13(11)18(12)16/h2-7,10,20-23H,8-9H2,1H3
InChIKey VYBHBOMWVZUGOW-UHFFFAOYSA-N
Molecular Weight 302.373 g/mol
SMILES OC1c2c3CCc4c(ccc(cc2-c2ccccc2C1O)c34)C
SPLASH splash10-0pcc-0291000000-a86f1d0f489647414fc2
Source of Spectrum EP-6116-0-0
Wiley ID 1305188