CHEBI:193035 - 5α,6β,17α,27-tetrahydroxywithanolide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5α,6β,17α,27-tetrahydroxywithanolide
ChEBI ID CHEBI:193035
ChEBI ASCII Name 5alpha,6beta,17alpha,27-tetrahydroxywithanolide
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C28H40O7
Net Charge 0
Average Mass 488.621
Monoisotopic Mass 488.27740
InChI InChI=1S/C28H40O7/c1-15-12-21(35-24(32)18(15)14-29)16(2)27(33)11-8-19-17-13-23(31)28(34)9-5-6-22(30)26(28,4)20(17)7-10-25(19,27)3/h5-6,16-17,19-21,23,29,31,33-34H,7-14H2,1-4H3/t16-,17+,19+,20+,21-,23-,25+,26+,27+,28+/m1/s1
InChIKey DDFLYRZLCDGOEF-GOASYUQISA-N
SMILES [C@H]([C@@]1(O)CC[C@]2([C@@]3(C[C@H]([C@]4(CC=CC(=O)[C@@]4([C@]3(CC[C@@]21C)[H])C)O)O)[H])[H])([C@@]5(OC(C(=C(C5)C)CO)=O)[H])C
ChEBI Ontology
Outgoing 5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a δ-lactone (CHEBI:18946)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a 17α-hydroxy steroid (CHEBI:35342)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a 27-hydroxy steroid (CHEBI:37914)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a 27-hydroxysterols (CHEBI:193031)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a 5α-hydroxy steroid (CHEBI:38194)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a 6β-hydroxy steroid (CHEBI:36851)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a enone (CHEBI:51689)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a primary alcohol (CHEBI:15734)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a secondary alcohol (CHEBI:35681)
Synonym Source
5α,6β,17α,27-tetrahydroxywithanolide UniProt
Manual Xref Database
CPD-24480 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
17704015 PubMed citation SUBMITTER