CHEBI:181405 - 21,22-Diprenylpaxilline

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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 21,22-Diprenylpaxilline
ChEBI ID CHEBI:181405
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H49NO4
Net Charge 0
Average Mass 571.802
Monoisotopic Mass 571.36616
InChI InChI=1S/C37H49NO4/c1-21(2)9-11-23-17-26-27-19-25-13-16-37(41)28-20-30(39)33(34(5,6)40)42-31(28)14-15-35(37,7)36(25,8)32(27)38-29(26)18-24(23)12-10-22(3)4/h9-10,17-18,20,25,31,33,38,40-41H,11-16,19H2,1-8H3/t25-,31-,33-,35+,36+,37+/m0/s1
InChIKey YMPSZJNRZBHLRI-OGYDQXLWSA-N
SMILES O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC5=C4C=C(C(=C5)CC=C(C)C)CC=C(C)C)[H])C)(CC[C@@]6(O[C@@](C(=O)C=C26)(C(O)(C)C)[H])[H])C
ChEBI Ontology
Outgoing 21,22-Diprenylpaxilline (CHEBI:181405) is a organic heterotricyclic compound (CHEBI:26979)
21,22-Diprenylpaxilline (CHEBI:181405) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2R,5S,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19,20-bis(3-methylbut-2-enyl)-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17(22),18,20-pentaen-8-one
Manual Xrefs Databases
30771021 ChemSpider
C20561 KEGG COMPOUND
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