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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-ethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-
RN: 73839-73-3
InChIKey: AQFTVPOQLUBUKA-JKTVECJGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H34-O13

Molecular Weight

  • 590.5746
 
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Names and Synonyms

Synonyms

  • 4'-Aethyl-demethylpodophyllotoxin-glucosid
  • 4'-Aethyl-demethylpodophyllotoxin-glucosid [German]
  • 4-19-00-05305 (Beilstein Handbook Reference)
  • BRN 0073930

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-ethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-

Registry Numbers

CAS Registry Number

  • 73839-73-3

System Generated Number

  • 0073839733

Structure Descriptors

InChI

1S/C29H34O13/c1-4-37-27-18(35-2)5-12(6-19(27)36-3)21-13-7-16-17(40-11-39-16)8-14(13)26(15-10-38-28(34)22(15)21)42-29-25(33)24(32)23(31)20(9-30)41-29/h5-8,15,20-26,29-33H,4,9-11H2,1-3H3/t15-,20+,21+,22-,23+,24-,25+,26-,29-/m0/s1

InChIKey

AQFTVPOQLUBUKA-JKTVECJGSA-N

Smiles

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 100mg/kg (100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 549, 1961.