(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 Google Search
Mol Weight	521.7 g/mol
Molecular Formula	C33H35N3O3
Exact Mass	521.267842 g/mol

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SpectraBase Spectrum ID	Cauerx70wmm
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
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	521.267841996 u
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
Molecular Weight	521.661 g/mol
SMILES	[C@]12(C3=C(C=CC=C3)[C@](C3=C2C=CC=C3)([C@]2(C(N(C([C@]12[H])=O)OCCCCCN1CCN(CC1)C1=CC=CC=C1)=O)[H])[H])[H]