CHEBI:19804 - 22-deoxy-20,21-dihydroxyecdysone

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ChEBI Name 22-deoxy-20,21-dihydroxyecdysone
ChEBI ID CHEBI:19804
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O7
Net Charge 0
Average Mass 480.63406
Monoisotopic Mass 480.30870
InChI InChI=1S/C27H44O7/c1-23(2,32)8-5-9-26(33,15-28)22-7-11-27(34)17-12-19(29)18-13-20(30)21(31)14-24(18,3)16(17)6-10-25(22,27)4/h12,16,18,20-22,28,30-34H,5-11,13-15H2,1-4H3/t16-,18-,20+,21-,22-,24+,25+,26+,27+/m0/s1
InChIKey ICVFXEQYDYKIJU-VOCVGKOUSA-N
SMILES [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@](O)(CO)CCCC(C)(C)O
ChEBI Ontology
Outgoing 22-deoxy-20,21-dihydroxyecdysone (CHEBI:19804) has functional parent ecdysone (CHEBI:16688)
22-deoxy-20,21-dihydroxyecdysone (CHEBI:19804) is a 20-hydroxy steroid (CHEBI:36854)
22-deoxy-20,21-dihydroxyecdysone (CHEBI:19804) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name
2β,3β,14,20,21,25-hexahydroxy-5β-cholest-7-en-6-one
Last Modified
10 January 2008