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CHEBI:212732 - 3beta,5alpha-dihydroxy-10alpha-methyl-6beta-acetoxy-ergosta-7,22-diene

ChEBI IDCHEBI:212732
ChEBI Name3beta,5alpha-dihydroxy-10alpha-methyl-6beta-acetoxy-ergosta-7,22-diene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILESCC(=O)O[C@@H]1C=C2C3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@]2(C)CC[C@H](O)C[C@]12O
InChIInChI=1S/C30H48O4/c1-18(2)19(3)8-9-20(4)24-10-11-25-23-16-27(34-21(5)31)30(33)17-22(32)12-15-29(30,7)26(23)13-14-28(24,25)6/h8-9,16,18-20,22,24-27,32-33H,10-15,17H2,1-7H3/b9-8+/t19-,20+,22-,24+,25?,26-,27+,28+,29-,30-/m0/s1
InChIKeyWOOGXTMIIGJREK-VZXFSPQOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - DOI (10.1007/s10600-017-2089-x)
ChEBI Ontology
Outgoing Relation(s)
3beta,5alpha-dihydroxy-10alpha-methyl-6beta-acetoxy-ergosta-7,22-diene (CHEBI:212732) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,5R,6R,9S,10S,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] acetate