CHEBI:91947 - 3-[(11R)-3,11,14-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 IDCHEBI:91947
ChEBI Name3-[(11R)-3,11,14-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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FormulaC23H34O5
Net Charge0
Average Mass390.520
Monoisotopic Mass390.24062
SMILESCC12CCC(O)CC1CCC1C2[C@H](O)CC2(C)C(C3=CC(=O)OC3)CCC12O
InChIInChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-20(21)18(25)11-22(2)16(6-8-23(17,22)27)13-9-19(26)28-12-13/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14?,15?,16?,17?,18-,20?,21?,22?,23?/m1/s1
InChIKeyFLMSQRUGSHIKCT-CDDJPJPASA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(11R)-3,11,14-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:91947) is a cardenolides (CHEBI:74634)
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