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Substance Name: Cantalasaponin 3
RN: 103735-23-5
InChIKey: FYOUZAVGEYRIAZ-UHFFFAOYSA-N

Note

  • A spirostanol glycoside; from Solanum nigrescens.

Molecular Weight

  • 1035.18
 
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Names and Synonyms

Name of Substance

  • Cantalasaponin 3

Synonym

  • Cantalasaponin-3

Systematic Name

  • Cantalasaponin 3

Registry Numbers

CAS Registry Number

  • 103735-23-5

System Generated Number

  • 0103735235

Structure Descriptors

InChI

1S/C50H82O22/c1-19-7-12-50(65-17-19)20(2)30-27(72-50)14-25-23-6-5-21-13-22(8-10-48(21,3)24(23)9-11-49(25,30)4)66-47-44(40(63)41(29(16-52)68-47)70-45-38(61)31(54)26(53)18-64-45)69-42-36(59)34(57)35(58)37(60)43(42)71-46-39(62)33(56)32(55)28(15-51)67-46/h19-47,51-63H,5-18H2,1-4H3

InChIKey

FYOUZAVGEYRIAZ-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2CC[C@@]3([C@@H](C2)CC[C@@H]2[C@@H]4C[C@@H]5[C@@H]([C@@]4(C)CC[C@@H]32)[C@@H](C)[C@@]2(O5)CC[C@@H](C)CO2)C)[C@@H](O[C@@H]2[C@@H](O)[C@@H]([C@@H]([C@@H](O)[C@@H]2O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O)[C@@H]1O)O)O)O