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Podophyllotoxone

Podophyllotoxone structure

Podophyllotoxone 

structure
  • CAS No:

    477-49-6

  • Formula:

    C22H20O8

  • Chemical Name:

    Podophyllotoxone

  • Synonyms:

    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;104183-75-7;75805-79-7

Description

Podophyllotoxone is a lactone and a lignan.

Podophyllotoxone Basic Attributes

412.38900

412.39

Characteristics

89.52000

2.55850

1.365±0.06 g/cm3 (20 ºC 760 Torr)

191-192 °C

Safety Information

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Podophyllotoxone Use and Manufacturing

Podophyllotoxone is a naturally occurring flavonoid that shown significant cell apoptosis and antiproliferative affect against human PC-3 and Bcap-37 cancer cell lines

Computed Properties

Molecular Weight:412.4
XLogP3:2.5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:412.11581759
Monoisotopic Mass:412.11581759
Topological Polar Surface Area:89.5
Heavy Atom Count:30
Complexity:668
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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