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N,N'-DIACETYLMIRABILIN-E
SpectraBase Compound ID BK9OQbxFqk3
InChI InChI=1S/C19H29N3O3/c1-5-6-9-19(25)11(2)10-14-7-8-15-16(14)17(19)21-18(20-12(3)23)22(15)13(4)24/h11,14-15,25H,5-10H2,1-4H3,(H,20,21,23)/t11?,14-,15-,19?/m0/s1
InChIKey GNCKPMVCKHRKOC-VZDBTFMASA-N
Mol Weight 347.46 g/mol
Molecular Formula C19H29N3O3
Exact Mass 347.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Tudyneg76U
Name diacetylmirabilin-E
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29N3O3
InChI InChI=1S/C19H29N3O3/c1-5-6-9-19(25)11(2)10-14-7-8-15-16(14)17(19)21-18(20-12(3)23)22(15)13(4)24/h11,14-15,25H,5-10H2,1-4H3,(H,20,21,23)/t11?,14-,15-,19?/m0/s1
InChIKey GNCKPMVCKHRKOC-VZDBTFMASA-N
Molecular Weight 347.459 g/mol
SMILES OC1(C(C[C@]2(C=3[C@@](N(C(=NC13)NC(=O)C)C(=O)C)(CC2)[H])[H])C)CCCC
SPLASH splash10-002o-0093000000-99409190c02d91c027a0
Source of Spectrum JA-49-767-0
Synonyms 2-(acetylamino)-8-butyl-7-methyl-1,3a,4,5,5a,6,7,8-octahydrocyclopenta[de]quinazolin-8-yl acetate N-((3aS,5aS)-3-Acetyl-8-butyl-8-hydroxy-7-methyl-3,3a,4,5,5a,6,7,8-octahydro-cyclopenta[de]quinazolin-2-yl)-acetamide
Wiley ID 1340041