20-hydroxyecdysone Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

480.6341

ALogP

1.85

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
  • InChIKey: NKDFYOWSKOHCCO-YPVLXUMRSA-N
    1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL224128   ChEMBL
20-hydroxyecdysone

779A7KPL0Y   NCATS
20-hydroxyecdysone *

20-Hydroxyecdysone   Wikipedia

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