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Benzo[g]chrysene-3,4-diol, 1,2,3,4-tetrahydro-, diacetate, trans-(.+-.)-
SpectraBase Compound ID 2gBZtjCaMwM
InChI InChI=1S/C26H22O4/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/h3-12,23,26H,13-14H2,1-2H3/t23-,26+/m0/s1
InChIKey JKISNEPGBMCGJL-JYFHCDHNSA-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 FJvS8YUnOxj
Name Benzo[g]chrysene-3,4-diol, 1,2,3,4-tetrahydro-, diacetate, trans-(.+-.)-
CAS Registry Number 110971-57-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22O4
InChI InChI=1S/C26H22O4/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/h3-12,23,26H,13-14H2,1-2H3/t23-,26+/m0/s1
InChIKey JKISNEPGBMCGJL-JYFHCDHNSA-N
Molecular Weight 398.458 g/mol
SMILES c12c(c3c4c(cccc4)ccc3c3c1cccc3)CC[C@@]([C@]2(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-002s-0091000000-c607a265fc394c8eedf2
Source of Spectrum J-52-5580-13
Synonyms (3S,4S)-3-(acetyloxy)-1,2,3,4-tetrahydrobenzo[g]chrysen-4-yl acetate trans-3,4-diacetoxy-1,2,3,4-tetrahydrobenzo[g]chrysene
Wiley ID 1368630