4′-Demethyldeoxypodophyllotoxin

CAS Registry Number®

3590-93-0

CAS Name

4′-Demethyldeoxypodophyllotoxin

Molecular Formula

C21H20O7

Molecular Mass

384.38

Cite this Page

4′-Demethyldeoxypodophyllotoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3590-93-0 (retrieved 2024-11-25) (CAS RN: 3590-93-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    244-249 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1

InChIKey

InChIKey=RFDMNXDDRXVJTM-RQUSPXKASA-N

SMILES

O=C1[C@@]2([C@@H](C=3C(C[C@]2(CO1)[H])=CC4=C(C3)OCO4)C5=CC(OC)=C(O)C(OC)=C5)[H]

Canonical SMILES

O=C1OCC2CC3=CC=4OCOC4C=C3C(C5=CC(OC)=C(O)C(OC)=C5)C12

Other Names for this Substance

  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR)-
  • Podophyllotoxin, 4′-O-demethyl-4-deoxy-
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-(5α,5aβ,8aα)]-
  • (5R,5aR,8aR)-5,8,8a,9-Tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
  • 4′-Demethyldeoxypodophyllotoxin

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