VD4

(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol


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Chemical Component Summary

Name(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol
Identifiers(1R,3R)-5-[(2E)-2-[(1Z,3aS,7aS)-1-(6-hydroxy-6-methyl-heptan-2-ylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
FormulaC27 H42 O3
Molecular Weight414.621
TypeNON-POLYMER
Isomeric SMILESC/C(=C/1\CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O
InChIInChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,23-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+,22-18-/t23-,24+,25+,27+/m0/s1
InChIKeyPCPYFQNISYYIPU-DUKKOGHCSA-N

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count4
Bond Count74
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 11618519