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Monoacetylheteratisine
SpectraBase Compound ID AIqkdWeULaC
InChI InChI=1S/C24H35NO6/c1-5-25-11-22(3)8-7-15(29-4)24-14-10-13-6-9-23(28,16(14)21(27)31-13)17(20(24)25)18(19(22)24)30-12(2)26/h13-20,28H,5-11H2,1-4H3/t13-,14-,15+,16?,17+,18-,19-,20?,22+,23-,24+/m1/s1
InChIKey DJZHBXHQCUCAAV-JVTQXNBWSA-N
Mol Weight 433.5 g/mol
Molecular Formula C24H35NO6
Exact Mass 433.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpOO2vRU9R1
Name Monoacetylheteratisine
Alternate Name(s) (1S,9S,10R,11R,14R,17S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.1(2,6).0(1,11).0(3,9).0(14,18)]icos-19-yl acetate
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Formula C24H35NO6
InChI InChI=1S/C24H35NO6/c1-5-25-11-22(3)8-7-15(29-4)24-14-10-13-6-9-23(28,16(14)21(27)31-13)17(20(24)25)18(19(22)24)30-12(2)26/h13-20,28H,5-11H2,1-4H3/t13-,14-,15+,16?,17+,18-,19-,20?,22+,23-,24+/m1/s1
InChIKey DJZHBXHQCUCAAV-JVTQXNBWSA-N
Molecular Weight 433.545 g/mol
SMILES O[C@@]12C3[C@]([C@]45C6[C@@]2([C@]([C@@]5([C@@](CN6CC)(C)CC[C@@]4(OC)[H])[H])(OC(=O)C)[H])[H])(C[C@](OC3=O)(CC1)[H])[H]
SPLASH splash10-0udi-9517700000-08984aee5d0e061548a1
Source of Spectrum CD-275-0-0
Wiley ID 1382682