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Substance Name: Acovenoside C
RN: 28474-86-4
InChIKey: FOCJNVIRCFDVTH-JWBCMHTRSA-N

Molecular Formula

  • C42-H66-O19

Molecular Weight

  • 874.964
 
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Names and Synonyms

Synonym

  • BRN 1280019

Systematic Name

  • Acovenoside C

Registry Numbers

CAS Registry Number

  • 28474-86-4

System Generated Number

  • 0028474864

Structure Descriptors

InChI

1S/C42H66O19/c1-17-35(61-38-33(51)31(49)29(47)25(60-38)16-56-37-32(50)30(48)28(46)24(14-43)59-37)36(54-4)34(52)39(57-17)58-20-12-19-5-6-23-22(41(19,3)26(44)13-20)7-9-40(2)21(8-10-42(23,40)53)18-11-27(45)55-15-18/h11,17,19-26,28-39,43-44,46-53H,5-10,12-16H2,1-4H3/t17-,19+,20+,21+,22-,23+,24+,25+,26+,28+,29+,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-,40+,41-,42-/m0/s1

InChIKey

FOCJNVIRCFDVTH-JWBCMHTRSA-N

Smiles

O([C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@@H]1[C@H]([C@@H]([C@@H](O)[C@@H](O1)O[C@H]1[C@@H](OC)[C@@H](O)[C@@H](O[C@H]1C)O[C@H]1C[C@@H](O)[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@H]2C1)O)C1=CC(OC1)=O)C)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 247ug/kg (0.247mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 420, 1951.