Podophyllotoxone

CAS Registry Number®

477-49-6
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CAS Name

Podophyllotoxone

Molecular Formula

C22H20O8

Molecular Mass

412.39

Cite this Page

Podophyllotoxone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=477-49-6 (retrieved 2024-06-26) (CAS RN: 477-49-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    191-192 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H20O8/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/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1

InChIKey

InChIKey=ISCQYPPCSYRZOT-BKTGTZMESA-N

SMILES

O=C1[C@@]2([C@@H](C=3C(C(=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-dioxole-5,8-dione, 5a,6,8a,9-tetrahydro-9-(3,4,5-trimethoxyphenyl)-, (5aR,8aR,9R)-
  • Podophyllotoxone
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxole-5,8-dione, 5a,6,8a,9-tetrahydro-9-(3,4,5-trimethoxyphenyl)-, [5aR-(5aα,8aβ,9α)]-
  • (5aR,8aR,9R)-5a,6,8a,9-Tetrahydro-9-(3,4,5-trimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxole-5,8-dione
  • Podophyllotoxinone

Deleted or Replaced CAS Registry Numbers

104183-75-7, 75805-79-7

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