CHEBI:176050 - Kanzonol F

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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 Kanzonol F
ChEBI ID CHEBI:176050
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28O5
Net Charge 0
Average Mass 420.505
Monoisotopic Mass 420.19367
InChI InChI=1S/C26H28O5/c1-14(2)6-7-16-19(27)11-22-23(24(16)28-5)25-18(13-29-22)17-10-15-8-9-26(3,4)31-20(15)12-21(17)30-25/h6,8-12,18,25,27H,7,13H2,1-5H3/t18-,25+/m0/s1
InChIKey SVHCNENPWOPFOI-AVRWGWEMSA-N
SMILES O1[C@@]2([C@](C3=C1C=C4OC(C=CC4=C3)(C)C)(COC5=C2C(OC)=C(C(O)=C5)CC=C(C)C)[H])[H]
ChEBI Ontology
Outgoing Kanzonol F (CHEBI:176050) is a pterocarpans (CHEBI:26377)
IUPAC Name
(1R,13R)-15-methoxy-7,7-dimethyl-16-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol