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Substance Name: 4'-O-Demethyl-4beta-benzoylpodophyllotoxin
RN: 111712-28-8
InChIKey: UILRVLMYVFCLQD-DLTDCEFJSA-N

Molecular Formula

  • C28-H24-O9

Molecular Weight

  • 504.4886
 
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Names and Synonyms

Results Name

  • 4'-O-Demethyl-4beta-benzoylpodophyllotoxin

Synonym

  • 4'-O-Demethyl-4beta-benzoylpodophyllotoxin

Systematic Name

  • Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-(benzoyloxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-

Registry Numbers

CAS Registry Number

  • 111712-28-8

System Generated Number

  • 0111712288

Structure Descriptors

InChI

1S/C28H24O9/c1-32-21-8-15(9-22(33-2)25(21)29)23-16-10-19-20(36-13-35-19)11-17(16)26(18-12-34-28(31)24(18)23)37-27(30)14-6-4-3-5-7-14/h3-11,18,23-24,26,29H,12-13H2,1-2H3/t18-,23+,24-,26+/m0/s1

InChIKey

UILRVLMYVFCLQD-DLTDCEFJSA-N

Smiles

COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)OC(=O)c6ccccc6)OCO4