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Substance Name: Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-(beta-D-glucopyranosyloxy)-5-(3,5-dimethoxy-4-(3-methylbutoxy)phenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-
RN: 73839-74-4
InChIKey: WJZGELLWXTXUGP-RQEQWCBGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Weight

  • 632.655
 
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Names and Synonyms

Synonyms

  • 4'-Isoamyl-demethylpodophyllotoxin-glucosid
  • 4'-Isoamyl-demethylpodophyllotoxin-glucosid [German]

Systematic Name

  • Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-(beta-D-glucopyranosyloxy)-5-(3,5-dimethoxy-4-(3-methylbutoxy)phenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-

Registry Numbers

CAS Registry Number

  • 73839-74-4

System Generated Number

  • 0073839744

Structure Descriptors

InChI

1S/C32H40O13/c1-14(2)5-6-40-30-21(38-3)7-15(8-22(30)39-4)24-16-9-19-20(43-13-42-19)10-17(16)29(18-12-41-31(37)25(18)24)45-32-28(36)27(35)26(34)23(11-33)44-32/h7-10,14,18,23-29,32-36H,5-6,11-13H2,1-4H3/t18-,23+,24+,25-,26+,27-,28+,29-,32-/m0/s1

InChIKey

WJZGELLWXTXUGP-RQEQWCBGSA-N

Smiles

CC(C)CCOc1c(cc(cc1OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OCO4)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 549, 1961.