CHEBI:212162 - Colobetaolactone IV

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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 Colobetaolactone IV
ChEBI ID CHEBI:212162
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H44O5
Net Charge 0
Average Mass 484.677
Monoisotopic Mass 484.31887
InChI InChI=1S/C30H44O5/c1-18-7-9-23(34-26(18)32)19(2)21-12-15-29(6)22-8-10-24-27(3,4)35-25(31)13-16-30(24,33)17-20(22)11-14-28(21,29)5/h7,19,21,23-24,33H,8-17H2,1-6H3/t19-,21+,23+,24-,28+,29-,30-/m0/s1
InChIKey KTMCGJGORRSIGX-JPTDSSQXSA-N
SMILES O=C1OC([C@@H]2CCC=3[C@]4([C@]([C@@H]([C@@H]([C@@H]5OC(=O)C(C)=CC5)C)CC4)(C)CCC3C[C@]2(CC1)O)C)(C)C
Metabolite of Species Details
Ganoderma (NCBI:txid5314) See: PubMed
ChEBI Ontology
Outgoing Colobetaolactone IV (CHEBI:212162) is a lactone (CHEBI:25000)
IUPAC Name
(3S,9R,13R,16R,17R)-3-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxatetracyclo[10.7.0.03,9.013,17]nonadec-1(12)-en-6-one
Manual Xref Database
78438000 ChemSpider
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