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Substance Name: 4-Demethyl-6,7-demethylene-1-epipodophyllotoxin
RN: 138456-91-4
InChIKey: SMPCOLOECPREKW-HQKIHSOMSA-N

Molecular Formula

  • C20-H20-O8

Molecular Weight

  • 388.37
 
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Names and Synonyms

Results Name

  • 4-Demethyl-6,7-demethylene-1-epipodophyllotoxin

Synonyms

  • (3aR,4S,9R,9aR)-4,6,7-Trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydronaphtho(2,3-c)furan-1(3H)-one
  • 4-Demethyl-6,7-demethylene-1-epipodophyllotoxin

Systematic Name

  • Naphtho(2,3-c)furan-1(3H)-one, 3a,4,9,9a-tetrahydro-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-, (3aR-(3aalpha,4beta,9alpha,9abeta))-

Registry Numbers

CAS Registry Number

  • 138456-91-4

System Generated Number

  • 0138456914

Structure Descriptors

InChI

1S/C20H20O8/c1-26-14-3-8(4-15(27-2)19(14)24)16-9-5-12(21)13(22)6-10(9)18(23)11-7-28-20(25)17(11)16/h3-6,11,16-18,21-24H,7H2,1-2H3/t11-,16+,17-,18+/m0/s1

InChIKey

SMPCOLOECPREKW-HQKIHSOMSA-N

Smiles

COc1cc(cc(c1O)OC)[C@@H]2c3cc(c(cc3[C@H]([C@@H]4[C@@H]2C(=O)OC4)O)O)O