CHEBI:181806 - 3-(3,12,14-Trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one

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ChEBI Name 3-(3,12,14-Trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one
ChEBI ID CHEBI:181806
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H34O5
Net Charge 0
Average Mass 390.520
Monoisotopic Mass 390.24062
InChI InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3
InChIKey SHIBSTMRCDJXLN-UHFFFAOYSA-N
SMILES OC12C3C(C4(C(CC3)CC(O)CC4)C)CC(O)C1(C(CC2)C=5COC(=O)C5)C
ChEBI Ontology
Outgoing 3-(3,12,14-Trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one (CHEBI:181806) is a cardenolides (CHEBI:74634)
IUPAC Name
3-(3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2H-uran-5-one
Manual Xref Database
529067 ChemSpider
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