CHEBI:225747 - Antcamphorol 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 Antcamphorol F
ChEBI ID CHEBI:225747
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H44O2
Net Charge 0
Average Mass 424.669
Monoisotopic Mass 424.33413
InChI InChI=1S/C29H44O2/c1-17(2)18(3)8-9-19(4)22-12-13-24-21-10-11-23-20(5)26(30)14-15-28(23,6)25(21)16-27(31)29(22,24)7/h10,16-17,19-20,22-24,27,31H,3,8-9,11-15H2,1-2,4-7H3/t19-,20+,22-,23+,24+,27-,28+,29-/m1/s1
InChIKey KEBAANQDQKTQAD-FVDKGLTISA-N
SMILES O=C1[C@H]([C@H]2[C@](C=3C([C@H]4[C@]([C@@H]([C@@H](CCC(=C)C(C)C)C)CC4)(C)[C@@H](C3)O)=CC2)(C)CC1)C
Metabolite of Species Details
Taiwanofungus camphoratus (NCBI:txid2696576) See: PubMed
ChEBI Ontology
Outgoing Antcamphorol F (CHEBI:225747) is a ergostanoid (CHEBI:50403)
IUPAC Name
(4S,5S,10S,12R,13R,14S,17R)-12-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one