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Benzo[g]chrysene-3,4-diol, 3,4-dihydro-, diacetate, trans-(.+-.)-
SpectraBase Compound ID BJeH9Bql03r
InChI InChI=1S/C26H20O4/c1-15(27)29-23-14-13-22-24-18-8-4-3-7-17(18)11-12-21(24)19-9-5-6-10-20(19)25(22)26(23)30-16(2)28/h3-14,23,26H,1-2H3/t23-,26+/m0/s1
InChIKey VUMVWZHUYLIONA-JYFHCDHNSA-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 A6cwVevY8z4
Name Benzo[g]chrysene-3,4-diol, 3,4-dihydro-, diacetate, trans-(.+-.)-
Alternate Name(s) (3S,4S)-3-(acetyloxy)-3,4-dihydrobenzo[g]chrysen-4-yl acetate trans-3,4-diacetoxy-3,4-dihydrobenzo[g]chrysene
CAS Registry Number 110971-58-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20O4
InChI InChI=1S/C26H20O4/c1-15(27)29-23-14-13-22-24-18-8-4-3-7-17(18)11-12-21(24)19-9-5-6-10-20(19)25(22)26(23)30-16(2)28/h3-14,23,26H,1-2H3/t23-,26+/m0/s1
InChIKey VUMVWZHUYLIONA-JYFHCDHNSA-N
Molecular Weight 396.442 g/mol
SMILES c12c(c3c4c(cccc4)ccc3c3c1cccc3)C=C[C@@]([C@]2(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0006-0092000000-be153c2673561715d7b4
Source of Spectrum J-52-5580-14
Wiley ID 1367674