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Substance Name: Cantalasaponin-1
RN: 98569-61-0
InChIKey: JLLFUINRPWOBGS-HMEANBKFSA-N

Note

  • From agave plants.

Molecular Weight

  • 772.92
 
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Names and Synonyms

  • Cantalasaponin-1

Registry Numbers

CAS Registry Number

  • 98569-61-0

System Generated Number

  • 0098569610

Structure Descriptors

InChI

1S/C39H64O15/c1-16-9-27(42)39(49-15-16)17(2)28-24(54-39)12-21-19-11-23(51-36-34(48)32(46)30(44)26(14-41)53-36)22-10-18(5-7-37(22,3)20(19)6-8-38(21,28)4)50-35-33(47)31(45)29(43)25(13-40)52-35/h16-36,40-48H,5-15H2,1-4H3/t16?,17-,18-,19+,20-,21-,22+,23-,24-,25+,26+,27?,28-,29+,30+,31-,32-,33+,34+,35+,36+,37+,38-,39?/m0/s1

InChIKey

JLLFUINRPWOBGS-HMEANBKFSA-N

Smiles

C1[C@@H](C[C@@H]2[C@H](C[C@H]3[C@@H]4C[C@@H]5O[C@@]6([C@H]([C@H]5[C@@]4(C)CC[C@H]3[C@@]2(C1)C)C)OC[C@@H](C[C@@H]6O)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO