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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O2
Molecular Weight 406.674
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of D6-25-HYDROXYVITAMIN D3

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)CCC3=C)[C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChIKey=JWUBBDSIWDLEOM-QFVHMXLQSA-N
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1/i3D3,4D3

HIDE SMILES / InChI

Molecular Formula C27H44O2
Molecular Weight 406.674
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
378HY809HV
Record Status Validated (UNII)
Record Version