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1H-Naphth[2',1':4,5]indeno[1,7a-c]pyrrole, 23-norconanine-3,18-diol deriv.
SpectraBase Compound ID Hxhn7KckMeb
InChI InChI=1S/C25H38N2O6/c1-14-20-7-8-22-19-6-5-17-13-18(32-15(2)28)9-11-24(17,4)21(19)10-12-25(20,22)23(33-16(3)29)26(14)27(30)31/h14,17-23H,5-13H2,1-4H3/t14-,17-,18-,19+,20+,21-,22-,23+,24-,25-/m0/s1
InChIKey KSTREWUNKFTNNH-VUDOHUDGSA-N
Mol Weight 462.6 g/mol
Molecular Formula C25H38N2O6
Exact Mass 462.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpiNzbIOzD8
Name 1H-Naphth[2',1':4,5]indeno[1,7a-c]pyrrole, 23-norconanine-3,18-diol deriv.
CAS Registry Number 120563-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38N2O6
InChI InChI=1S/C25H38N2O6/c1-14-20-7-8-22-19-6-5-17-13-18(32-15(2)28)9-11-24(17,4)21(19)10-12-25(20,22)23(33-16(3)29)26(14)27(30)31/h14,17-23H,5-13H2,1-4H3/t14-,17-,18-,19+,20+,21-,22-,23+,24-,25-/m0/s1
InChIKey KSTREWUNKFTNNH-VUDOHUDGSA-N
Molecular Weight 462.587 g/mol
SMILES [C@]1(N([C@]([C@]2(CC[C@@]3([C@@]12CC[C@@]1([C@@]2([C@@](CC[C@@]31[H])(C[C@](CC2)(OC(=O)C)[H])[H])C)[H])[H])[H])(C)[H])N(=O)=O)(OC(=O)C)[H]
SPLASH splash10-016r-0089000000-49e4bb163534b4a30095
Source of Spectrum KC-1988-3263-44
Synonyms 23-Norconanine-3,18-diol, 22-nitro-, diacetate (ester), (3.beta.,5.alpha.,18R)- (18R,20S)-N-Nitro-18,20-epimino-5.alpha.-pregnane-3.beta.,18.beta.-diol diacetate (1R,3S,3aS,5aS,5bR,7aS,9S,11aS,11bS,13aR)-1-(acetyloxy)-3,11a-dimethyl-2-nitrooctadecahydro-1H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-yl acetate
Wiley ID 1391061