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Substance Name: 4'-Demethylepipodophyllotoxin
RN: 6559-91-7
UNII: X0S6I23X6L
InChIKey: YVCVYCSAAZQOJI-JHQYFNNDSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H20-O8

Molecular Weight

  • 400.381
 
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Names and Synonyms

Name of Substance

  • 4'-Demethylepipodophyllotoxin

Synonyms

  • 4'-Demethylepipodophyllotoxin
  • 5-19-10-00665 (Beilstein Handbook Reference)
  • BRN 1358259
  • UNII-X0S6I23X6L

Systematic Name

  • Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-beta))-

Registry Numbers

CAS Registry Number

  • 6559-91-7

FDA UNII

  • X0S6I23X6L

System Generated Number

  • 0006559917

Structure Descriptors

InChI

1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1

InChIKey

YVCVYCSAAZQOJI-JHQYFNNDSA-N

Smiles

c12c([C@H]([C@@H]3[C@@H]([C@@H]2c2cc(OC)c(c(c2)OC)O)C(=O)OC3)O)cc2c(OCO2)c1