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Substance Name: Wallichoside
RN: 31087-88-4
InChIKey: YBZZSZQZDODUAA-JCTRZUIWSA-N

Classification Code

  • Natural Product

Molecular Weight

  • 518.6864
 
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Names and Synonyms

Synonym

  • Beaumontia grandiflora

Systematic Name

  • Wallichoside

Registry Numbers

CAS Registry Number

  • 31087-88-4

Other Registry Number

  • 881030-00-8

System Generated Number

  • 0031087884

Structure Descriptors

InChI

1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3/t17-,19+,20-,21+,22-,23+,24+,26-,27-,28-,29+,30-/m0/s1

InChIKey

YBZZSZQZDODUAA-JCTRZUIWSA-N

Smiles

C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 200ug/kg (0.2mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.