dihydrotachysterol Report issue

Small molecule Experimental
ChEMBL DrugBank Drug Central KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

398.68

ALogP

7.72

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@]12C
  • InChIKey: ILYCWAKSDCYMBB-OPCMSESCSA-N
    InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2356023   ChEMBL
dihydrotachysterol *

CHEMBL2106324   ChEMBL

R5LM3H112R   NCATS
dihydrotachysterol *

Dihydrotachysterol   Wikipedia

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