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CHEBI:38105 - gitoxigenin

Default Structure
ChEBI IDCHEBI:38105
ChEBI Namegitoxigenin
Stars
Last Modified12 November 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H34O5
Net Charge0
Average Mass390.520
Monoisotopic Mass390.24062
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@]3(O)C[C@H](O)[C@]4([H])C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1
InChIKeyPVAMXWLZJKTXFW-VQMOFDJESA-N
ChEBI Ontology
Outgoing Relation(s)
gitoxigenin (CHEBI:38105) has parent hydride 5β-cardanolide (CHEBI:35542)
gitoxigenin (CHEBI:38105) is a 14β-hydroxy steroid (CHEBI:36862)
gitoxigenin (CHEBI:38105) is a 16β-hydroxy steroid (CHEBI:17354)
gitoxigenin (CHEBI:38105) is a 3β-hydroxy steroid (CHEBI:36836)
Incoming Relation(s)
digitalin (CHEBI:28143) has functional parent gitoxigenin (CHEBI:38105)
gitoxigenin 3-acetate (CHEBI:63504) has functional parent gitoxigenin (CHEBI:38105)
gitoxin (CHEBI:28503) has functional parent gitoxigenin (CHEBI:38105)
oleandrigenin (CHEBI:63508) has functional parent gitoxigenin (CHEBI:38105)
strospeside (CHEBI:70992) has functional parent gitoxigenin (CHEBI:38105)
(1R,5R,6S,11S,12R,14R)-22-[(1S)-1-Hydroxyethyl]-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol (CHEBI:182756) is a gitoxigenin (CHEBI:38105)
Abikoviromycin (CHEBI:210557) is a gitoxigenin (CHEBI:38105)
Awajanomycin (CHEBI:189267) is a gitoxigenin (CHEBI:38105)
Batrachotoxinin A (CHEBI:176955) is a gitoxigenin (CHEBI:38105)
Kobutimycin A (CHEBI:201165) is a gitoxigenin (CHEBI:38105)
Kobutimycin B (CHEBI:215330) is a gitoxigenin (CHEBI:38105)
Latumcidin (CHEBI:206271) is a gitoxigenin (CHEBI:38105)
LSM-1903 (CHEBI:91957) is a gitoxigenin (CHEBI:38105)
Nocarditriene (CHEBI:208440) is a gitoxigenin (CHEBI:38105)
IUPAC Name 
3β,14,16β-trihydroxy-5β-card-20(22)-enolide
Synonym  Source
16beta-HydroxydigitoxigeninChemIDplus
Registry NumbersSources
Beilstein:96483Beilstein
CAS:545-26-6ChemIDplus