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(9s,10s)-13-((5-(4-phenylpiperazin-1-yl)pentyl)oxy)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
SpectraBase Compound ID CQ9xg1sOvY4
InChI InChI=1S/C33H35N3O3/c37-32-30-28-24-13-5-6-14-25(24)29(27-16-8-7-15-26(27)28)31(30)33(38)36(32)39-22-10-2-9-17-34-18-20-35(21-19-34)23-11-3-1-4-12-23/h1,3-8,11-16,28-31H,2,9-10,17-22H2/t28-,29+,30-,31-/m1/s1
InChIKey GNEQVYJOZKSVFE-YXOGWZJSSA-N
Mol Weight 521.7 g/mol
Molecular Formula C33H35N3O3
Exact Mass 521.267842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xTtFZ4sW6Z
Name (9s,10s)-13-((5-(4-phenylpiperazin-1-yl)pentyl)oxy)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H35N3O3
InChI InChI=1S/C33H35N3O3/c37-32-30-28-24-13-5-6-14-25(24)29(27-16-8-7-15-26(27)28)31(30)33(38)36(32)39-22-10-2-9-17-34-18-20-35(21-19-34)23-11-3-1-4-12-23/h1,3-8,11-16,28-31H,2,9-10,17-22H2/t28-,29+,30-,31-/m1/s1
InChIKey GNEQVYJOZKSVFE-YXOGWZJSSA-N
Literature Reference DOI 10.1002/ardp.201100020
Molecular Weight 521.661 g/mol
SMILES [C@]12(c3c(cccc3)[C@](c3c2cccc3)([C@]2(C(N(C([C@]12[H])=O)OCCCCCN1CCN(CC1)c1ccccc1)=O)[H])[H])[H]
SPLASH splash10-03fs-9000000000-4b80522cce30822e38b5
Source of Spectrum APC-344-548-10
Wiley ID 1769253