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Benzo[g]chrysene-11,12-diol, 11,12-dihydro-, diacetate, (11R-trans)-
SpectraBase Compound ID At3zhju0JV2
InChI InChI=1S/C26H20O4/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/h3-14,24,26H,1-2H3/t24-,26-/m1/s1
InChIKey KTHVVSIGRNOLIS-AOYPEHQESA-N
Mol Weight 396.44 g/mol
Molecular Formula C26H20O4
Exact Mass 396.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OaBmSaeAWx
Name Benzo[g]chrysene-11,12-diol, 11,12-dihydro-, diacetate, (11R-trans)-
CAS Registry Number 122090-57-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20O4
InChI InChI=1S/C26H20O4/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/h3-14,24,26H,1-2H3/t24-,26-/m1/s1
InChIKey KTHVVSIGRNOLIS-AOYPEHQESA-N
Molecular Weight 396.442 g/mol
SMILES c12c3c(c4ccccc4c4c3cccc4)ccc2[C@@](OC(=O)C)([C@@](C=C1)(OC(=O)C)[H])[H]
SPLASH splash10-0006-0091000000-7ce64fb7ded0a837d502
Source of Spectrum J-54-3541-15
Synonyms trans-11,12-Diacetoxy-11,12-dihydrobenzo[g]chrysene (11R,12R)-11-(acetyloxy)-11,12-dihydrobenzo[g]chrysen-12-yl acetate trans-(11R,12R)-diacetoxy-11,12-dihydrobenzo[g]chrysene
Wiley ID 1367677