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CHEBI:210725 - 12beta-hydroxy-13alpha-butoxyethoxyverruculogen TR-2

ChEBI IDCHEBI:210725
ChEBI Name12beta-hydroxy-13alpha-butoxyethoxyverruculogen TR-2
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FormulaC28H39N3O7
Net Charge0
Average Mass529.634
Monoisotopic Mass529.27880
SMILESCCCCOCCO[C@H]1c2c(nc3cc(OC)ccc23)[C@H](CC(C)(C)O)N2C(=O)[C@@H]3CCCN3C(=O)[C@@]12O
InChIInChI=1S/C28H39N3O7/c1-5-6-12-37-13-14-38-24-22-18-10-9-17(36-4)15-19(18)29-23(22)21(16-27(2,3)34)31-25(32)20-8-7-11-30(20)26(33)28(24,31)35/h9-10,15,20-21,24,29,34-35H,5-8,11-14,16H2,1-4H3/t20-,21-,24-,28-/m0/s1
InChIKeyZBXZIGNWODTNTI-FMAFCICHSA-N
ChEBI Ontology
Outgoing Relation(s)
12beta-hydroxy-13alpha-butoxyethoxyverruculogen TR-2 (CHEBI:210725) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1S,2S,12S,15S)-2-(2-butoxyethoxy)-1-hydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
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78439158ChemSpider