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Substance Name: Scillicyanoside
RN: 11005-49-5
InChIKey: DDAAWSFCUWNNES-VZVRGTEASA-N

Classification Code

  • Natural Product

Molecular Formula

  • C32-H42-O12

Molecular Weight

  • 618.672
 
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Names and Synonyms

Name of Substance

  • Scillicyanoside

Synonyms

  • 4-18-00-03248 (Beilstein Handbook Reference)
  • BRN 0075059
  • Scillicyanosid
  • Scillicyanosid [German]
  • Scillicyanoside

Systematic Name

  • 5-beta,16-beta-Bufa-3,20,22-trienolide, 16-(acetyloxy)-5-(beta-D-glucopyranosyloxy)-14-hydroxy-19-oxo-

Registry Numbers

CAS Registry Number

  • 11005-49-5

System Generated Number

  • 0011005495

Structure Descriptors

InChI

1S/C32H42O12/c1-17(35)42-21-13-32(40)20-8-12-31(44-28-27(39)26(38)25(37)22(14-33)43-28)10-4-3-9-30(31,16-34)19(20)7-11-29(32,2)24(21)18-5-6-23(36)41-15-18/h4-6,10,15-16,19-22,24-28,33,37-40H,3,7-9,11-14H2,1-2H3/t19?,20?,21-,22?,24-,25+,26?,27?,28-,29+,30-,31+,32-/m0/s1

InChIKey

DDAAWSFCUWNNES-VZVRGTEASA-N

Smiles

C1[C@@]2([C@](O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)(CC[C@@H]3[C@@H]2CC[C@@]2([C@@]3(C[C@@H](OC(C)=O)[C@@H]2c2ccc(=O)oc2)O)C)C=CC1)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 100ug/kg (0.1mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 194, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.060 (none)   EST
Water Solubility 5000 mg/L   EXP
Atmospheric OH Rate Constant 2.50E-10 cm3/molecule-sec 25 EST

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