CHEBI:182268 - Arnicolide D

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ChEBI Name Arnicolide D
ChEBI ID CHEBI:182268
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24O5
Net Charge 0
Average Mass 332.396
Monoisotopic Mass 332.16237
InChI InChI=1S/C19H24O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,10-13,15-16H,1,8H2,2-5H3/t10-,11+,12+,13-,15-,16+,19+/m1/s1
InChIKey NZESEVTYUVXOTC-APDQSUQKSA-N
SMILES O1[C@]2([C@]([C@H](OC(=O)C(C)=C)[C@]3([C@]([C@@H](C2)C)(C=CC3=O)[H])C)([C@@H](C1=O)C)[H])[H]
ChEBI Ontology
Outgoing Arnicolide D (CHEBI:182268) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name
[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]uran-9-yl] 2-methylprop-2-enoate
Manual Xref Database
158463 ChemSpider
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Registry Number Type Source
34532-68-8 CAS Registry Number ChemIDplus