CHEBI:185420 - Norselic acid E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Norselic acid E
ChEBI ID CHEBI:185420
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C31H42O5
Net Charge 0
Average Mass 494.672
Monoisotopic Mass 494.30322
InChI InChI=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
InChIKey JFWKHVJJUMJZAN-RKDCWTDHSA-N
SMILES OC(=O)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(C=C3)=CC(=O)C=C4)C)[H])[H])(CC[C@@]2([C@@H](CC[C@](OC(=O)C)(CC)C(C)=C)C)[H])[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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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