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Podophyllotoxin

CAS Registry Number®

518-28-5

CAS Name

Podophyllotoxin

Molecular Formula

C22H22O8

Molecular Mass

414.41

Cite this Page

Podophyllotoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=518-28-5 (retrieved 2024-12-27) (CAS RN: 518-28-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    183 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1

InChIKey

InChIKey=YJGVMLPVUAXIQN-XVVDYKMHSA-N

SMILES

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

Canonical SMILES

O=C1OCC2C(O)C3=CC=4OCOC4C=C3C(C5=CC(OC)=C(OC)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-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR,9R)-
  • Podophyllotoxin
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5α,5aβ,8aα,9α)]-
  • (5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
  • Condylox

View All

Deleted or Replaced CAS Registry Numbers

11016-28-7

CAS INSIGHTSTM
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