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CHEBI:218974 - Gloeophyllin B

ChEBI IDCHEBI:218974
ChEBI NameGloeophyllin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O5
Net Charge0
Average Mass514.747
Monoisotopic Mass514.36582
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC3)C(C)C
InChIInChI=1S/C32H50O5/c1-18(2)19(3)9-10-20(4)23-12-13-24-22-11-14-26-30(6,16-15-27(34)32(26,8)29(35)36)25(22)17-28(31(23,24)7)37-21(5)33/h18,20,23-24,26-28,34H,3,9-17H2,1-2,4-8H3,(H,35,36)/t20-,23-,24+,26-,27+,28-,30-,31-,32+/m1/s1
InChIKeyQFMUTNVATFFBJY-OWUXEGSQSA-N
Species of MetaboliteComponentSourceComments
Gloeophyllum abietinum (ncbitaxon:180171) - PubMed (25915800)
ChEBI Ontology
Outgoing Relation(s)
Gloeophyllin B (CHEBI:218974) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,4S,5R,10S,12R,13R,14S,17R)-12-acetyloxy-3-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylic acid