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Diacetyldenudatine
SpectraBase Compound ID 42yCmqnQkTQ
InChI InChI=1S/C26H37NO4/c1-6-27-13-24(5)9-7-10-26-19(24)12-18(22(26)27)25-11-8-17(14(2)23(25)31-16(4)29)20(21(25)26)30-15(3)28/h17-23H,2,6-13H2,1,3-5H3/t17-,18?,19-,20+,21-,22?,23-,24+,25+,26?/m1/s1
InChIKey WUZWHADDUZSZLE-PWFUMQHUSA-N
Mol Weight 427.6 g/mol
Molecular Formula C26H37NO4
Exact Mass 427.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bm1vulDa5Ds
Name Diacetyldenudatine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H37NO4
InChI InChI=1S/C26H37NO4/c1-6-27-13-24(5)9-7-10-26-19(24)12-18(22(26)27)25-11-8-17(14(2)23(25)31-16(4)29)20(21(25)26)30-15(3)28/h17-23H,2,6-13H2,1,3-5H3/t17-,18?,19-,20+,21-,22?,23-,24+,25+,26?/m1/s1
InChIKey WUZWHADDUZSZLE-PWFUMQHUSA-N
Molecular Weight 427.585 g/mol
SMILES [C@@]123[C@](C45CCC[C@@]6([C@]4(CC2C5N(C6)CC)[H])C)([C@@](OC(=O)C)([C@](CC1)(C([C@]3(OC(=O)C)[H])=C)[H])[H])[H]
SPLASH splash10-014i-0009100000-77d9b4ea06d5d62a761a
Source of Spectrum H1-45-670-12
Synonyms (5R,10S,11R,13R,14S,15S,16R)-11-(acetyloxy)-7-ethyl-5-methyl-12-methylene-7-azahexacyclo[7.6.2.2(10,13).0(1,8).0(5,16).0(10,15)]nonadec-14-yl acetate
Wiley ID 758390