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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-deoxy-20-hydroxy-5α-ecdysone 3-acetate
ChEBI ID CHEBI:20538
ChEBI ASCII Name 2-deoxy-20-hydroxy-5alpha-ecdysone 3-acetate
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C29H46O7
Net Charge 0
Average Mass 506.67134
Monoisotopic Mass 506.32435
InChI InChI=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
InChIKey JYZWBQULDMOHQE-ZPQFWNFQSA-N
SMILES [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@@]1([H])C[C@H](CC[C@]21C)OC(C)=O)[C@@](C)(O)[C@H](O)CCC(C)(C)O
ChEBI Ontology
Outgoing 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 Number Type Source
7696623 Beilstein Registry Number Beilstein
Last Modified
27 November 2007