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Benzo[g]chrysene-5,6-diol, 5,6,7,8-tetrahydro-, diacetate, trans-(.+-.)-
SpectraBase Compound ID 9DhHkjfjPX4
InChI InChI=1S/C26H22O4/c1-15(27)29-23-14-13-22-21-12-11-17-7-3-4-8-18(17)24(21)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 MJOKIYDGCSAYNS-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 8VDWfAYkVYx
Name Benzo[g]chrysene-5,6-diol, 5,6,7,8-tetrahydro-, diacetate, trans-(.+-.)-
CAS Registry Number 110971-60-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22O4
InChI InChI=1S/C26H22O4/c1-15(27)29-23-14-13-22-21-12-11-17-7-3-4-8-18(17)24(21)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 MJOKIYDGCSAYNS-JYFHCDHNSA-N
Molecular Weight 398.458 g/mol
SMILES c12c(c3ccc4c(c3c3c2cccc3)cccc4)CC[C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0002-0094000000-f026c10b4570beeef53d
Source of Spectrum J-52-5581-17
Synonyms (5S,6S)-5-(acetyloxy)-5,6,7,8-tetrahydrobenzo[g]chrysen-6-yl acetate trans-5,6-diacetoxy-5,6,7,8-tetrahydrobenzo[g]chrysene
Wiley ID 1368631