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Substance Name: Tigogenin
RN: 77-60-1
UNII: 4SMU15RR44
InChIKey: GMBQZIIUCVWOCD-MFRNJXNGSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C27-H44-O3

Molecular Weight

  • 416.6416
 
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Names and Synonyms

Name of Substance

  • Tigogenin

Synonyms

  • (25R)-5alpha-Spirostan-3beta-ol
  • (3-beta,5-alpha,25R)-Spirostan-3-ol
  • BRN 1293741
  • EINECS 201-041-9
  • NSC 93754
  • Tigogenin
  • UNII-4SMU15RR44

Systematic Names

  • (5alpha,25R)-Spirostan-3beta-ol
  • 5-alpha-Spirostan-3-beta-ol
  • 5-alpha-Spirostan-3-beta-ol, (25R)-
  • 5alpha-Spirostan-3beta-ol, (25R)- (8CI)
  • Spirostan-3-ol, (3beta,5alpha,25R)-

Registry Numbers

CAS Registry Number

  • 77-60-1

FDA UNII

  • 4SMU15RR44

System Generated Number

  • 0000077601

Structure Descriptors

InChI

1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

InChIKey

GMBQZIIUCVWOCD-MFRNJXNGSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 10mg/kg (10mg/kg)   "Toxins of Animal and Plant Origin, Proceedings International Symposium, 2nd, 1970," de Vries A., and E. Kochva, eds., 3 vols., New York, Gordon and Breach Science Pub., 1971-73Vol. 2, Pg. 597, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 205.5 deg C   EXP
log P (octanol-water) 7.110 (none)   EST
Atmospheric OH Rate Constant 7.00E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.