CHEBI:211738 - Formosterol B

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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 Formosterol B
ChEBI ID CHEBI:211738
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H42O7
Net Charge 0
Average Mass 490.637
Monoisotopic Mass 490.29305
InChI InChI=1S/C28H42O7/c1-13(22-23(35-22)14(2)25(3,4)33)19-18(30)12-28(34)17-8-7-15-11-16(29)9-10-26(15,5)20(17)21(31)24(32)27(19,28)6/h8,13-15,18-20,22-24,30,32-34H,7,9-12H2,1-6H3/t13-,14-,15-,18-,19-,20+,22-,23+,24-,26-,27-,28-/m0/s1
InChIKey RZIUDOGWMCMHAN-JBBRKPIOSA-N
SMILES O=C1[C@H]2C(=CC[C@@H]3[C@@]2(CCC(C3)=O)C)[C@@]4(O)C[C@@H]([C@@H]([C@]4([C@H]1O)C)[C@@H]([C@@H]5O[C@@H]5[C@@H](C(O)(C)C)C)C)O
Metabolite of Species Details
Gibellula formosana (NCBI:txid219212) See: DOI
ChEBI Ontology
Outgoing Formosterol B (CHEBI:211738) is a cholestanoid (CHEBI:50401)
IUPAC Name
(5S,9R,10S,12R,13S,14S,16S,17R)-12,14,16-trihydroxy-17-[(1S)-1-[(2S,3R)-3-[(2S)-3-hydroxy-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-10,13-dimethyl-1,2,4,5,6,9,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,11-dione
Manual Xref Database
78437450 ChemSpider
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