alfacalcidol Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

400.65

ALogP

6.59

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
  • InChIKey: OFHCOWSQAMBJIW-AVJTYSNKSA-N
    InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1601669   ChEMBL
alfacalcidol

Alfacalcidol   Wikipedia

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