CHEBI:227875 - (22E,24R)-6beta-methoxyergosta-7,9 (11),22-trien-3beta,5alpha,14beta-triol

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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 (22E,24R)-6beta-methoxyergosta-7,9 (11),22-trien-3beta,5alpha,14beta-triol
ChEBI ID CHEBI:227875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H46O4
Net Charge 0
Average Mass 458.683
Monoisotopic Mass 458.33961
InChI InChI=1S/C29H46O4/c1-18(2)19(3)8-9-20(4)22-12-15-28(31)24-16-25(33-7)29(32)17-21(30)10-13-27(29,6)23(24)11-14-26(22,28)5/h8-9,11,16,18-22,25,30-32H,10,12-15,17H2,1-7H3/b9-8+/t19-,20+,21-,22+,25+,26+,27+,28-,29-/m0/s1
InChIKey ZNQTVDWBXOHGDP-BMPWRIHXSA-N
SMILES O([C@@H]1C=C2C(=CC[C@]3([C@]2(O)CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@@]4([C@]1(O)C[C@@H](O)CC4)C)C
Metabolite of Species Details
Ganoderma (NCBI:txid5314) See: PubMed
ChEBI Ontology
Outgoing (22E,24R)-6beta-methoxyergosta-7,9 (11),22-trien-3beta,5alpha,14beta-triol (CHEBI:227875) is a ergostanoid (CHEBI:50403)
IUPAC Name
(3S,5R,6R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-2,3,4,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,5,14-triol