CHEBI:80534 - 26-Hydroxyecdysone

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ChEBI Name 26-Hydroxyecdysone
ChEBI ID CHEBI:80534
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H44O7
Net Charge 0
Average Mass 480.63410
Monoisotopic Mass 480.30870
InChI InChI=1S/C27H44O7/c1-15(20(29)7-8-24(2,33)14-28)16-6-10-27(34)18-11-21(30)19-12-22(31)23(32)13-25(19,3)17(18)5-9-26(16,27)4/h11,15-17,19-20,22-23,28-29,31-34H,5-10,12-14H2,1-4H3/t15-,16+,17-,19-,20+,22+,23-,24?,25+,26+,27+/m0/s1
InChIKey CHEZKCVMQIAGLX-PBUSDRRUSA-N
SMILES C[C@H]([C@H](O)CCC(C)(O)CO)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 26-Hydroxyecdysone (CHEBI:80534) is a steroid (CHEBI:35341)
Manual Xref Database
C16499 KEGG COMPOUND
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Registry Number Type Source
52717-49-4 CAS Registry Number KEGG COMPOUND