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Substance Name: Drevogenin A
RN: 10163-83-4
InChIKey: VZYFPJYRFFDDKS-GJULNNQYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C28-H42-O7

Molecular Weight

  • 490.633
 
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Names and Synonyms

Results Name

  • Drevogenin A

Synonyms

  • 14-beta-Pregn-5-en-20-one, 3-beta,11-alpha,12-beta,14-tetrahydroxy-, 11-acetate 12-isovalerate
  • Drevogenin A

Systematic Name

  • Pregn-5-en-20-one, 11-(acetyloxy)-3,14-dihydroxy-12-(3-methyl-1-oxobutoxy)-, (3-beta,11-alpha,12-beta,14-beta)-

Registry Numbers

CAS Registry Number

  • 10163-83-4

System Generated Number

  • 0010163834

Structure Descriptors

InChI

1S/C28H42O7/c1-15(2)13-22(32)35-25-24(34-17(4)30)23-21(8-7-18-14-19(31)9-11-26(18,23)5)28(33)12-10-20(16(3)29)27(25,28)6/h7,15,19-21,23-25,31,33H,8-14H2,1-6H3/t19-,20+,21+,23+,24-,25+,26-,27-,28-/m0/s1

InChIKey

VZYFPJYRFFDDKS-GJULNNQYSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@]4(CC[C@@H](C(C)=O)[C@@]4(C)[C@@H]([C@H]([C@H]3[C@@]2(C1)C)OC(=O)C)OC(CC(C)C)=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD intravenous > 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.