CHEBI:182585 - 7beta,18-Dihydroxykaurenolide

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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 7beta,18-Dihydroxykaurenolide
ChEBI ID CHEBI:182585
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O4
Net Charge 0
Average Mass 332.440
Monoisotopic Mass 332.19876
InChI InChI=1S/C20H28O4/c1-11-8-20-9-12(11)4-5-13(20)18(2)6-3-7-19(10-21)15(18)14(16(20)22)24-17(19)23/h12-16,21-22H,1,3-10H2,2H3/t12-,13+,14-,15+,16+,18+,19+,20+/m1/s1
InChIKey RDUNXXWNAKBVER-AJHBJYRYSA-N
SMILES O1[C@@]2([C@]3([C@]([C@]4([C@@]5([C@H]2O)C[C@@](CC4)(C(C5)=C)[H])[H])(CCC[C@]3(C1=O)CO)C)[H])[H]
ChEBI Ontology
Outgoing 7beta,18-Dihydroxykaurenolide (CHEBI:182585) is a diterpene lactone (CHEBI:49193)
IUPAC Name
(1S,2S,5R,8R,9R,10R,13R,17S)-9-hydroxy-13-(hydroxymethyl)-1-methyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
Manual Xref Database
546077 ChemSpider
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