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Benzo[g]chrysene-11,12-diol, 11,12,13,14-tetrahydro-, diacetate, trans-(.+-.)-
SpectraBase Compound ID HHZCIZDtIUs
InChI InChI=1S/C26H22O4/c1-15(27)29-24-14-13-22-23(26(24)30-16(2)28)12-11-21-19-9-4-3-7-17(19)18-8-5-6-10-20(18)25(21)22/h3-12,24,26H,13-14H2,1-2H3/t24-,26-/m1/s1
InChIKey YVAYFJZGMMWUMN-AOYPEHQESA-N
Mol Weight 398.46 g/mol
Molecular Formula C26H22O4
Exact Mass 398.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHvOLf7rKUL
Name Benzo[g]chrysene-11,12-diol, 11,12,13,14-tetrahydro-, diacetate, trans-(.+-.)-
CAS Registry Number 122048-35-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22O4
InChI InChI=1S/C26H22O4/c1-15(27)29-24-14-13-22-23(26(24)30-16(2)28)12-11-21-19-9-4-3-7-17(19)18-8-5-6-10-20(18)25(21)22/h3-12,24,26H,13-14H2,1-2H3/t24-,26-/m1/s1
InChIKey YVAYFJZGMMWUMN-AOYPEHQESA-N
Molecular Weight 398.458 g/mol
SMILES c12c3c([C@@](OC(=O)C)([C@@](CC3)(OC(=O)C)[H])[H])ccc1c1ccccc1c1c2cccc1
SPLASH splash10-000b-0192000000-f5e779529f1771ccb042
Source of Spectrum J-54-3540-14
Synonyms (11R,12R)-11-(acetyloxy)-11,12,13,14-tetrahydrobenzo[g]chrysen-12-yl acetate trans-11,12-diacetoxy-11,12,13,14-tetrahydrobenzo[g]chrysene trans-11,12-diacetoxy-11,12,13,14-tetrahydroxydrobenzo[g]chrysene
Wiley ID 1368632