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Substance Name: Vallaroside, mono-O-acetyl-
RN: 4356-53-0
InChIKey: UYQMTWMXBKEHJQ-CNJUQUCXSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C32-H48-O9

Molecular Weight

  • 576.722
 
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Names and Synonyms

Synonym

  • Mono-O-acetylvallaroside

Systematic Name

  • Vallaroside, mono-O-acetyl-

Registry Numbers

CAS Registry Number

  • 4356-53-0

System Generated Number

  • 0004356530

Structure Descriptors

InChI

1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27-,28+,29-,30-,31+,32-/m0/s1

InChIKey

UYQMTWMXBKEHJQ-CNJUQUCXSA-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)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 314ug/kg (0.314mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.