CHEBI:46739 - (25S)-11α,20,26-trihydroxyecdysone

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ChEBI Name (25S)-11α,20,26-trihydroxyecdysone
ChEBI ID CHEBI:46739
ChEBI ASCII Name (25S)-11alpha,20,26-trihydroxyecdysone
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O9
Net Charge 0
Average Mass 512.63286
Monoisotopic Mass 512.29853
InChI InChI=1S/C27H44O9/c1-23(34,13-28)7-6-21(33)26(4,35)20-5-8-27(36)15-10-16(29)14-9-17(30)18(31)11-24(14,2)22(15)19(32)12-25(20,27)3/h10,14,17-22,28,30-36H,5-9,11-13H2,1-4H3/t14-,17+,18-,19+,20-,21+,22+,23-,24-,25+,26+,27+/m0/s1
InChIKey KLDBEDBIBHZKCM-RPVATTIGSA-N
SMILES [H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)[C@@]1([H])[C@H](O)C[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC2=O)[C@@](C)(O)[C@H](O)CC[C@](C)(O)CO
ChEBI Ontology
Outgoing (25S)-11α,20,26-trihydroxyecdysone (CHEBI:46739) has functional parent ecdysone (CHEBI:16688)
(25S)-11α,20,26-trihydroxyecdysone (CHEBI:46739) is a 11α-hydroxy steroid (CHEBI:19129)
(25S)-11α,20,26-trihydroxyecdysone (CHEBI:46739) is a 20-hydroxy steroid (CHEBI:36854)
(25S)-11α,20,26-trihydroxyecdysone (CHEBI:46739) is a 26-hydroxy steroid (CHEBI:36852)
(25S)-11α,20,26-trihydroxyecdysone (CHEBI:46739) is a phytoecdysteroid (CHEBI:26118)
IUPAC Name
(22R,25S)-2β,3β,11α,14,20,22,25,26-octahydroxy-5β-cholest-7-en-6-one
Registry Number Type Source
8603187 Beilstein Registry Number Beilstein
Last Modified
27 September 2007