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Substance Name: Isocapsicastrine
RN: 123164-25-0
InChIKey: LXITVHCOOLDNBB-ATEWJWJNSA-N

Note

  • From root bark of Solanum capsicastrum; exhibits strong activity against liver damage induced by CCl4.

Molecular Weight

  • 577.797
 
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Names and Synonyms

Name of Substance

  • Isocapsicastrine

Synonym

  • 22,26-Epiminocholest-5-ene-3,16-diol 3-O-glucopyranoside

Registry Numbers

CAS Registry Number

  • 123164-25-0

System Generated Number

  • 0123164250

Structure Descriptors

InChI

1S/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17?,18-,20?,21-,22+,23+,24?,25?,26-,27+,28-,29+,30-,31?,32+,33+/m1/s1

InChIKey

LXITVHCOOLDNBB-ATEWJWJNSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4C[C@@H]([C@@H]([C@@H]([C@@H]5CC[C@@H](CN5)C)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO