EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:20538 - 2-deoxy-20-hydroxy-5α-ecdysone 3-acetate

ChEBI IDCHEBI:20538
ChEBI Name2-deoxy-20-hydroxy-5α-ecdysone 3-acetate
Stars
ASCII Name2-deoxy-20-hydroxy-5alpha-ecdysone 3-acetate
Last Modified27 November 2007
DownloadsMolfile
FormulaC29H46O7
Net Charge0
Average Mass506.680
Monoisotopic Mass506.32435
SMILES[H][C@]1([C@@](C)(O)[C@H](O)CCC(C)(C)O)CC[C@@]2(O)C3=CC(=O)[C@@]4([H])C[C@@H](OC(C)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C29H46O7/c1-17(30)36-18-7-12-26(4)19-8-13-27(5)23(28(6,34)24(32)10-11-25(2,3)33)9-14-29(27,35)20(19)16-22(31)21(26)15-18/h16,18-19,21,23-24,32-35H,7-15H2,1-6H3/t18-,19-,21+,23-,24+,26+,27+,28+,29+/m0/s1
InChIKeyJYZWBQULDMOHQE-ZPQFWNFQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-deoxy-20-hydroxy-5α-ecdysone 3-acetate (CHEBI:20538) is a ecdysteroid ester (CHEBI:23895)
IUPAC Name 
(22R)-14,20,22,25-tetrahydroxy-6-oxo-5α-cholest-7-en-3β-yl acetate
Registry NumbersSources
Beilstein:7696623Beilstein