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Substance Name: Actodigin genin
RN: 20902-91-4
InChIKey: YQNWBNVADSNDBH-AQSYGYMCSA-N

Note

  • Inhibition of Na(+),K(+)-ATPase due to lactone carbonyl oxygen position.

Molecular Weight

  • 374.518
 
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Names and Synonyms

Name of Substance

  • Actodigin genin

Systematic Name

  • 24-Norchol-20(22)-en-21-oic acid, 3,14,23-trihydroxy-, gamma-lactone, (3beta,5beta,14beta)-

Registry Numbers

CAS Registry Number

  • 20902-91-4

System Generated Number

  • 0020902914

Structure Descriptors

InChI

1S/C23H34O4/c1-21-9-5-15(24)13-14(21)3-4-19-18(21)6-10-22(2)17(7-11-23(19,22)26)16-8-12-27-20(16)25/h8,14-15,17-19,24,26H,3-7,9-13H2,1-2H3/t14-,15+,17-,18+,19-,21+,22-,23+/m1/s1

InChIKey

YQNWBNVADSNDBH-AQSYGYMCSA-N

Smiles

C1C[C@@]2([C@@H]3[C@@H](CC[C@@H]2C[C@H]1O)[C@@]1(CC[C@@H]([C@@]1(C)CC3)C=1C(OCC1)=O)O)C