P4S

(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide


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Chemical Component Summary

Name(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide
Identifiersn/a
FormulaC24 H32 O5
Molecular Weight400.508
TypeNON-POLYMER
Isomeric SMILESC[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O
InChIInChI=1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3/t15-,16-,17+,18+,19+,21+,22+,23-,24+/m0/s1
InChIKeyJMNQTHQLNRILMH-OBBGIPBRSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count9
Bond Count66
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 11969465
ChEBI CHEBI:146151