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CHEBI:185420 - Norselic acid E

ChEBI IDCHEBI:185420
ChEBI NameNorselic acid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42O5
Net Charge0
Average Mass494.672
Monoisotopic Mass494.30322
SMILES[H][C@@]12C=CC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@@]1(C(=O)O)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@@](CC)(OC(C)=O)C(=C)C
InChIInChI=1S/C31H42O5/c1-7-30(19(2)3,36-21(5)32)16-12-20(4)25-10-11-27-24-9-8-22-18-23(33)13-15-29(22,6)26(24)14-17-31(25,27)28(34)35/h8-9,13,15,18,20,24-27H,2,7,10-12,14,16-17H2,1,3-6H3,(H,34,35)/t20-,24-,25-,26+,27+,29+,30-,31+/m1/s1
InChIKeyJFWKHVJJUMJZAN-RKDCWTDHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Norselic acid E (CHEBI:185420) has parent hydride stigmastane (CHEBI:26773)
Norselic acid E (CHEBI:185420) is a steroid (CHEBI:35341)
IUPAC Name 
(8R,9S,10R,13S,14S,17R)-17-[(2R,5R)-5-acetyloxy-5-ethyl-6-methylhept-6-en-2-yl]-10-methyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-13-carboxylic acid
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