28-norcastasterone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 13982110
Molecular Formula

C27H46O5

SMILES

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

InChI

InChI=1S/C27H46O5/c1-14(2)10-23(30)25(32)15(3)17-6-7-18-16-11-21(28)20-12-22(29)24(31)13-27(20,5)19(16)8-9-26(17,18)4/h14-20,22-25,29-32H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20+,22-,23+,24+,25+,26+,27+/m0/s1

synonyms
  • 28-Norcastasterone
  • 83464-85-1
  • Brassinone
Click to show/hide the synonyms
Properties
Property Value
MW 450.7 g/mol
HBD 4
HBA 5
Rotatable Bond Count 5
Exact Mass 450.33452456 g/mol
Monoisotopic Mass 450.33452456 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 12
Covalent Unit Count 1
Complexity 708
xlogp 4.3
Topological Polar Surface Area 98