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Chemistry

Mol. Mass

384.6377

ALogP

7.62

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC\C2=C/C=C3/C[C@H](O)CCC3=C
  • InChIKey: QYSXJUFSXHHAJI-YHJXBONMSA-N
    1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24-,25-,26+,27-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1042   ChEMBL
cholecalciferol

CHEMBL1536   ChEMBL
ergocalciferol

1C6V77QF41   NCATS
cholecalciferol *

Cholecalciferol   Wikipedia

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