betulinic acid Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

456.71

ALogP

7.09

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
  • InChIKey: QGJZLNKBHJESQX-FZFNOLFKSA-N
    InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL269277   ChEMBL
betulinic acid

Betulinic acid   Wikipedia

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