M7E

1-ALPHA-HYDROXY-27-NOR-25-O-CARBONYL-VITAMIN D3


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Chemical Component Summary

Name1-ALPHA-HYDROXY-27-NOR-25-O-CARBONYL-VITAMIN D3
FormulaC26 H37 B10 O2
Molecular Weight489.681
TypeNON-POLYMER
Isomeric SMILESB1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)C
InChIInChI=1S/C26H37B10O2/c1-16(21-10-11-22-18(7-4-12-24(21,22)3)8-9-19-14-20(37)15-23(38)17(19)2)6-5-13-26-25-27(26)29(25)30(25)28(25,26)32(26)31(26,27)33(27,29)35(29,30)34(28,30,32)36(31,32,33)35/h8-9,16,20-23,37-38H,2,4-7,10-15H2,1,3H3/q+3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1
InChIKeyAHSCVXNUZMYYOY-UUSULHAXSA-N

Chemical Details

Formal Charge3
Atom Count75
Chiral Atom Count6
Bond Count96
Aromatic Bond Count0