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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H44O2
Molecular Weight 412.6478
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of DOXERCALCIFEROL

SMILES

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

InChI

InChIKey=HKXBNHCUPKIYDM-CGMHZMFXSA-N
InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H44O2
Molecular Weight 412.6478
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
3DIZ9LF5Y9
Record Status Validated (UNII)
Record Version