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Substance Name: Vallaroside
RN: 4477-75-2
InChIKey: VPUNMTHWNSJUOG-LMYROWQCSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C30-H46-O8

Molecular Weight

  • 534.685
 
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Names and Synonyms

Synonym

  • Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-altropyranosyl)oxy)-14-hydroxy-

Systematic Name

  • Vallaroside

Registry Numbers

CAS Registry Number

  • 4477-75-2

System Generated Number

  • 0004477752

Structure Descriptors

InChI

1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25+,26-,27-,28-,29+,30-/m0/s1

InChIKey

VPUNMTHWNSJUOG-LMYROWQCSA-N

Smiles

O[C@@H]1[C@H]([C@H]([C@@H](O[C@H]1O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@@]([C@@H]3CC[C@H]2C1)(CC[C@@H]4C1=CC(OC1)=O)O)C)C)C)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 171ug/kg (0.171mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.