CHEBI:19544 - 2-dehydroecdysone

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ChEBI Name 2-dehydroecdysone
ChEBI ID CHEBI:19544
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H42O6
Net Charge 0
Average Mass 462.61878
Monoisotopic Mass 462.29814
InChI InChI=1S/C27H42O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22,28,30,32-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,25+,26+,27+/m0/s1
InChIKey YFZGVPBGGOOZPB-SVINYHLRSA-N
SMILES [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)C(=O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O
ChEBI Ontology
Outgoing 2-dehydroecdysone (CHEBI:19544) has functional parent ecdysone (CHEBI:16688)
2-dehydroecdysone (CHEBI:19544) is a 2-oxo steroid (CHEBI:36888)
2-dehydroecdysone (CHEBI:19544) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
(22R)-3β,14,22,25-tetrahydroxy-5β-cholest-7-ene-2,6-dione
Registry Number Type Source
113846-79-0 CAS Registry Number ChemIDplus
Last Modified
06 February 2018