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CHEBI:210162 - 6-O-propionyl-6-O-deacetylhelvolic acid

ChEBI IDCHEBI:210162
ChEBI Name6-O-propionyl-6-O-deacetylhelvolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48O8
Net Charge0
Average Mass584.750
Monoisotopic Mass584.33492
SMILESCCC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@@H](CC[C@H]3/C(=C(\CCC=C(C)C)C(=O)O)[C@@H](OC(C)=O)C[C@@]32C)[C@@]2(C)CCC(=O)[C@@H](C)[C@H]12
InChIInChI=1S/C34H48O8/c1-9-26(37)42-29-28-19(4)23(36)15-16-32(28,6)25-14-13-22-27(21(31(39)40)12-10-11-18(2)3)24(41-20(5)35)17-33(22,7)34(25,8)30(29)38/h11,19,22,24-25,28-29H,9-10,12-17H2,1-8H3,(H,39,40)/b27-21-/t19-,22+,24+,25+,28-,29+,32-,33+,34-/m1/s1
InChIKeyAOWXBKJBAKEXTO-XARGSBJLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30070829)
ChEBI Ontology
Outgoing Relation(s)
6-O-propionyl-6-O-deacetylhelvolic acid (CHEBI:210162) is a steroid ester (CHEBI:47880)
IUPAC Name 
(2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,7-dioxo-6-propanoyloxy-2,4,5,6,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
Manual XrefsDatabases
78441694ChemSpider