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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(phenylmethylene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
RN: 28719-23-5
InChIKey: MXTHSRLPPKBDCB-MBTXQDIMSA-N

Molecular Formula

  • C36-H46-O9

Molecular Weight

  • 622.75
 
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Names and Synonyms

Synonyms

  • Benzaldehydhelveticosid
  • Benzaldehydhelveticosid [German]
  • FG 200

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(phenylmethylene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-

Registry Numbers

CAS Registry Number

  • 28719-23-5

System Generated Number

  • 0028719235

Structure Descriptors

InChI

1S/C36H46O9/c1-21-31-28(44-32(45-31)22-6-4-3-5-7-22)17-30(42-21)43-24-8-13-34(20-37)26-9-12-33(2)25(23-16-29(38)41-19-23)11-15-36(33,40)27(26)10-14-35(34,39)18-24/h3-7,16,20-21,24-28,30-32,39-40H,8-15,17-19H2,1-2H3/t21?,24-,25+,26?,27?,28?,30-,31+,32?,33+,34-,35-,36-/m0/s1

InChIKey

MXTHSRLPPKBDCB-MBTXQDIMSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C=5COC(C5)=O)CC4)(C)CC3)O)CC[C@@]2(C[C@H](O[C@H]2C[C@H]3[C@H](O[C@@H](O3)c3ccccc3)[C@@H](O2)C)C1)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 1036ug/kg (1.036mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1854, 1972.