YI4

(1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol


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Chemical Component Summary

Name(1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol
Identifiers(1R,3R)-5-[(2E)-2-[(1R,3aR,5S,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-5-prop-2-enyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(2-oxidanylethylidene)cyclohexane-1,3-diol
FormulaC31 H50 O4
Molecular Weight486.726
TypeNON-POLYMER
Isomeric SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CC[C@H](/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)CC=C)C
InChIInChI=1S/C31H50O4/c1-6-8-23-14-17-31(5)26(21(2)9-7-16-30(3,4)35)12-13-27(31)24(23)11-10-22-19-28(33)25(15-18-32)29(34)20-22/h6,10-11,15,21,23,26-29,32-35H,1,7-9,12-14,16-20H2,2-5H3/b22-10-,24-11+,25-15+/t21-,23-,26-,27+,28-,29-,31-/m1/s1
InChIKeyVQPYCEUJPLIUFQ-ZVOFGSMJSA-N

Chemical Details

Formal Charge0
Atom Count85
Chiral Atom Count7
Bond Count87
Aromatic Bond Count0