ChemicalBook--->CAS DataBase List--->477-49-6

477-49-6

477-49-6 Structure

477-49-6 Structure
IdentificationBack Directory
[Name]

Podophyllotoxone
[CAS]

477-49-6
[Synonyms]

Podophyllotoxone
Podophyllotoxinone
(-)-podophyllotoxon
(-)-podophyllotoxon
(5R)-5aα,8aβ-Dihydro-5β-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-6,9(5H,8H)-dione
(5R)-5,5aα,8,8aβ-Tetrahydro-5β-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-6,9-dione
(5aR)-5aα,6,8aβ,9-Tetrahydro-9α-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-5,8-dione
(5R)-5,8,8aβ,9-Tetrahydro-5β-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-6(5aαH),9-dione
(5R)-5β-(3,4,5-Trimethoxyphenyl)-5,8,8aβ,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-6,9(5aαH)-dione
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)-
[Molecular Formula]

C22H20O8
[MDL Number]

MFCD02183443
[MOL File]

477-49-6.mol
[Molecular Weight]

412.39
Chemical PropertiesBack Directory
[Melting point ]

191.73℃
[Boiling point ]

602.3±55.0 °C(Predicted)
[density ]

1.365±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

4°C, away from moisture and light
[solubility ]

DMSO : 100 mg/mL (242.49 mM; Need ultrasonic)
[form ]

Solid
[color ]

White to off-white
[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]

ISCQYPPCSYRZOT-BKTGTZMESA-N
[SMILES]

O1C2=CC3=C(C=C2OC1)C(=O)[C@@]1([H])COC(=O)[C@]1([H])[C@@H]3C1=CC(OC)=C(OC)C(OC)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H332-H301-H335-H312-H315-H319
[Precautionary statements ]

P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Hazard InformationBack Directory
[Chemical Properties]

It is a white crystalline powder, soluble in organic solvents such as methanol, ethanol, and DMSO. It comes from the rhizomes of Sinopodophyllum hexandrum (Royle) Ying (the highest content is found in Anhui) and Dysosma versipellis (Hance) M. Cheng ex Ying (the highest content is found in Anhui).
[Uses]

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

ChEBI: Podophyllotoxone is a lactone and a lignan.
[storage]

4°C, away from moisture and light
Spectrum DetailBack Directory
[Spectrum Detail]

Podophyllotoxone(477-49-6)1HNMR
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