CHEBI:80533 - 2,22-Dideoxy-3-dehydroecdysone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,22-Dideoxy-3-dehydroecdysone
ChEBI ID CHEBI:80533
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H42O4
Net Charge 0
Average Mass 430.62000
Monoisotopic Mass 430.30831
InChI InChI=1S/C27H42O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-17,19-20,22,30-31H,6-15H2,1-5H3/t17-,19-,20+,22+,25-,26-,27-/m1/s1
InChIKey ADJIOBLYKGQIDH-NOVLVJNXSA-N
SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 2,22-Dideoxy-3-dehydroecdysone (CHEBI:80533) is a cholestanoid (CHEBI:50401)
Manual Xref Database
C16498 KEGG COMPOUND
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