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Substance Name: Cevane-3-beta,4-beta,7-alpha,14,15-alpha,16-beta,20-heptol, 4,9-epoxy-, 15-((+)-2-hydroxy-2-methylbutyrate) 3-((-)-2-methylbutyrate)
RN: 63951-45-1
InChIKey: SGYGAUUUPXBOSA-PTSVTHRZSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C37-H59-N-O11

Molecular Weight

  • 693.869
 
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Names and Synonyms

Synonyms

  • Germerin
  • Germerin [German]
  • Germerine
  • O-Deacetylgerminaline
  • Veratensine

Systematic Name

  • Cevane-3-beta,4-beta,7-alpha,14,15-alpha,16-beta,20-heptol, 4,9-epoxy-, 15-((+)-2-hydroxy-2-methylbutyrate) 3-((-)-2-methylbutyrate)

Registry Numbers

CAS Registry Number

  • 63951-45-1

System Generated Number

  • 0063951451

Structure Descriptors

InChI

InChI=1S/C37H59NO11/c1-8-19(4)30(41)47-25-12-13-32(5)23-14-22(39)28-35(32,49-37(23,25)46)15-21-20-17-38-16-18(3)10-11-24(38)34(7,44)26(20)27(40)29(36(21,28)45)48-31(42)33(6,43)9-2/h18-29,39-40,43-46H,8-17H2,1-7H3/t18-,19?,20?,21?,22+,23?,24-,25-,26?,27+,28?,29?,32-,33?,34+,35+,36-,37-/m0/s1

InChIKey

SGYGAUUUPXBOSA-PTSVTHRZSA-N

Smiles

CCC(C)C(=O)O[C@H]1CC[C@@]2(C)C3C[C@@H](O)C4[C@@]5(O)C(C[C@]24O[C@]13O)C6CN7C[C@@H](C)CC[C@H]7[C@@](C)(O)C6[C@@H](O)C5OC(=O)C(C)(O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 500ug/kg (0.5mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 189, Pg. 397, 1938.
frog LD50 subcutaneous 9mg/kg (9mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

CARDIAC: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 189, Pg. 397, 1938.
mouse LD50 subcutaneous > 2mg/kg (2mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 113, Pg. 89, 1955.
rabbit LDLo intravenous 300ug/kg (0.3mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 189, Pg. 397, 1938.
rabbit LDLo subcutaneous 2mg/kg (2mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 189, Pg. 397, 1938.
rat LD50 oral 30mg/kg (30mg/kg) GASTROINTESTINAL: OTHER CHANGES

CARDIAC: OTHER CHANGES
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 189, Pg. 397, 1938.
rat LD50 subcutaneous 3700ug/kg (3.7mg/kg) CARDIAC: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 189, Pg. 397, 1938.