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CHEBI:210168 - 24-epi-6beta,16beta-diacetoxy-25-hydroxy-3,7-dioxo-29-nordammara-1,17(20)-diene-21,24-lactone

ChEBI IDCHEBI:210168
ChEBI Name24-epi-6beta,16beta-diacetoxy-25-hydroxy-3,7-dioxo-29-nordammara-1,17(20)-diene-21,24-lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44O9
Net Charge0
Average Mass584.706
Monoisotopic Mass584.29853
SMILESCC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@]4(C)C=CC(=O)[C@@H](C)[C@@H]4[C@H](OC(C)=O)C(=O)[C@@]32C)/C1=C1\CC[C@@H](C(C)(C)O)OC1=O
InChIInChI=1S/C33H44O9/c1-16-21(36)13-14-31(6)23-11-10-20-25(19-9-12-24(30(4,5)39)42-29(19)38)22(40-17(2)34)15-32(20,7)33(23,8)28(37)27(26(16)31)41-18(3)35/h13-14,16,20,22-24,26-27,39H,9-12,15H2,1-8H3/b25-19-/t16-,20+,22+,23+,24+,26-,27+,31-,32+,33-/m1/s1
InChIKeySFFUOHPMNZBGBA-QDYOCNNMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30070829)
ChEBI Ontology
Outgoing Relation(s)
24-epi-6beta,16beta-diacetoxy-25-hydroxy-3,7-dioxo-29-nordammara-1,17(20)-diene-21,24-lactone (CHEBI:210168) is a steroid lactone (CHEBI:26766)
IUPAC Name 
[(4S,5S,6S,8S,9S,10R,13R,14S,16S,17Z)-6-acetyloxy-17-[(6S)-6-(2-hydroxypropan-2-yl)-2-oxooxan-3-ylidene]-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-16-yl] acetate
Manual XrefsDatabases
71044370ChemSpider