CHEBI:213267 - Bipolamine H

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bipolamine H
ChEBI ID CHEBI:213267
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H24N2O3
Net Charge 0
Average Mass 340.423
Monoisotopic Mass 340.17869
InChI InChI=1S/C20H24N2O3/c1-11-6-8-16-20(24)18-17(13(3)21(11)16)25-19(20,14(4)23)10-9-15-7-5-12(2)22(15)18/h5-10,13-14,17-18,23-24H,1-4H3/t13-,14+,17-,18-,19+,20-/m1/s1
InChIKey LDOSSDODSGTRGF-QVFZOTCZSA-N
SMILES O1[C@@]2(C=CC3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@]24O)C)C)[C@@H](O)C
Metabolite of Species Details
Bipolaris (NCBI:txid33194) See: PubMed
ChEBI Ontology
Outgoing Bipolamine H (CHEBI:213267) is a organic heterobicyclic compound (CHEBI:27171)
Bipolamine H (CHEBI:213267) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name
(1S,2R,10S,12R,13R)-10-[(1S)-1-hydroxyethyl]-4,13,15-trimethyl-11-oxa-3,14-diazapentacyclo[8.8.0.02,12.03,7.014,18]octadeca-4,6,8,15,17-pentaen-1-ol