CHEBI:210720 - 12beta-hydroxy-13alpha-ethoxyverruculogen TR-2

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ChEBI Name 12beta-hydroxy-13alpha-ethoxyverruculogen TR-2
ChEBI ID CHEBI:210720
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H31N3O6
Net Charge 0
Average Mass 457.527
Monoisotopic Mass 457.22129
InChI InChI=1S/C24H31N3O6/c1-5-33-20-18-14-9-8-13(32-4)11-15(14)25-19(18)17(12-23(2,3)30)27-21(28)16-7-6-10-26(16)22(29)24(20,27)31/h8-9,11,16-17,20,25,30-31H,5-7,10,12H2,1-4H3/t16-,17-,20-,24-/m0/s1
InChIKey SGHOPSJVYXHVEZ-MEICDQCUSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@]1(O)[C@@H](OCC)C=4C5=C(C=C(OC)C=C5)NC4[C@@H]3CC(O)(C)C)CCC2
ChEBI Ontology
Outgoing 12beta-hydroxy-13alpha-ethoxyverruculogen TR-2 (CHEBI:210720) is a β-carbolines (CHEBI:60834)
IUPAC Name
(1S,2S,12S,15S)-2-ethoxy-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
Manual Xref Database
78439157 ChemSpider
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