YS2

(1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol


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Chemical Component Summary

Name(1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
Identifiers(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-oxidanylpentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
FormulaC24 H38 O3
Molecular Weight374.557
TypeNON-POLYMER
Isomeric SMILESC[C@H](CCCO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C
InChIInChI=1S/C24H38O3/c1-16(6-5-13-25)20-10-11-21-19(7-4-12-24(20,21)3)9-8-18-14-22(26)17(2)23(27)15-18/h8-9,16,20-23,25-27H,2,4-7,10-15H2,1,3H3/b19-9+/t16-,20-,21+,22-,23-,24-/m1/s1
InChIKeyJPGZPBYJMAWTHF-HCMYXCKPSA-N

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count6
Bond Count67
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 46901277
ChEMBL CHEMBL1212956