Ecdysone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 329
Total Number of Articles : 393
PubChem 19212
Molecular Formula

C27H44O6

SMILES

C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)[C@@H](CCC(C)(C)O)O

InChI

InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1

synonyms
  • ECDYSONE
  • alpha-Ecdysone
  • 3604-87-3
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Properties
Property Value
MW 464.6 g/mol
HBD 5
HBA 6
Rotatable Bond Count 5
Exact Mass 464.31378912 g/mol
Monoisotopic Mass 464.31378912 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 821
xlogp 1.7
Topological Polar Surface Area 118