seocalcitol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 58
Total Number of Articles : 51
PubChem 5288149
Molecular Formula

C30H46O3

SMILES

CCC(CC)(/C=C/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O

InChI

InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1

synonyms
  • Seocalcitol
  • 134404-52-7
  • EB-1089
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Properties
Property Value
MW 454.7 g/mol
HBD 3
HBA 3
Rotatable Bond Count 7
Exact Mass 454.34469533 g/mol
Monoisotopic Mass 454.34469533 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 812
xlogp 5.8
Topological Polar Surface Area 60.7