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Substance Name: 5-alpha-Hydroxy-6-beta-methyltigogenin
RN: 73927-85-2
InChIKey: KEOLCBLQBIWDBI-CYVQKCQYSA-N

Molecular Formula

  • C28-H46-O4

Molecular Weight

  • 446.6674
 
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Names and Synonyms

Name of Substance

  • 5-alpha-Hydroxy-6-beta-methyltigogenin

Synonyms

  • (25R)-6-beta-Methyl-5-alpha-spirostan-3-beta,5-alpha-diol
  • 5-alpha-Hydroxy-6-beta-methyltigogenin

Systematic Name

  • 5-alpha-Spirostan-3-beta,5-alpha-diol, 6-beta-methyl-, (25R)-

Registry Numbers

CAS Registry Number

  • 73927-85-2

System Generated Number

  • 0073927852

Structure Descriptors

InChI

1S/C28H46O4/c1-16-6-11-28(31-15-16)18(3)24-23(32-28)13-22-20-12-17(2)27(30)14-19(29)7-10-26(27,5)21(20)8-9-25(22,24)4/h16-24,29-30H,6-15H2,1-5H3/t16-,17-,18+,19+,20-,21+,22+,23+,24+,25+,26-,27+,28-/m1/s1

InChIKey

KEOLCBLQBIWDBI-CYVQKCQYSA-N

Smiles

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@]6([C@@]5(CC[C@@H](C6)O)C)O)C)C)C)OC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05719,