CHEBI:225760 - Antcamphorol I

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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 I
ChEBI ID CHEBI:225760
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H44O
Net Charge 0
Average Mass 408.670
Monoisotopic Mass 408.33922
InChI InChI=1S/C29H44O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,14,18,20-21,23-25H,3,8-9,11-13,15-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,28-,29+/m1/s1
InChIKey XIJNKDCVAKOGFQ-CHJFJNOPSA-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)CC3)=CC2)(C)CC1)C
Metabolite of Species Details
Taiwanofungus camphoratus (NCBI:txid2696576) See: PubMed
ChEBI Ontology
Outgoing Antcamphorol I (CHEBI:225760) is a ergostanoid (CHEBI:50403)
IUPAC Name
(4S,5S,10S,13R,14R,17R)-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
Manual Xref Database
128437806 ChemSpider
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