(5R,5aR,8aR,9S)-9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

Basic Information

View in Editor

CAS Number

6559-91-7

Molecular Formula

C21H20O8

Molecular Weight

400.38 g/mol

Basic Physical Properties

Physical State

Powder

Melting Point

246-248°C

Boiling Point

590.9°C at 760 mmHg

Solubility

Methanol

SMILES

View in Editor

COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O

InChI

InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1

InChIKey

YVCVYCSAAZQOJI-JHQYFNNDSA-N

LogP

2.1062

Topological Polar Surface Area

103.68 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

614

Safety Information

View Safety Information

Hazard Statement

H350 May cause cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Storage Conditions

2-8℃

Synonyms & References

English

4'-Demethylepipodophyllotoxin
4-Demethyl Epipodophyllotoxin(DMEP)
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-,(5R,5aR,8aR,9S)-
4-DEMETHYL EIPODOPHYLLOTOXIN
4'-demethyl-4-epipodophyllotoxin
4'-demethyl-9-epipodophyllotoxin
4'-demethyl-epipodophyllotoxin
4'-DEMETHYLEPIPODOPHYLLOTOXINE
4'-DMEP
4-Domethylpodophyllotoxin,4'-demethyl-epi-Podophyllotoxin
4'-O-demethylepipodophyllotoxin
(5R,5aR,8aR,9S)-9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one
(5R,5aR,8aR,9S)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
4-Demethylepipodophyllotoxin
(-)-4'-Demethylepipodophyllotoxin
X0S6I23X6L
C21H20O8
(5R,5aR,8aR,9S)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
(5s,5ar,8ar,9r)-9-(3,5-Dimethoxy-4-Oxidanyl-Phenyl)-5-Oxidanyl-5a,6,8a,9-Tetrahydro-5h-[2]benzofuro[6,5-F][1,3]benzodioxol-8-One
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahy
(-)-4'-Demethylepipodophyllotoxin,4'-O-demethylepipodophyllotoxin,4'-Demethylepipodophyllotoxin

MDL Number

MFCD00189421

FAQ

What is (5R,5aR,8aR,9S)-9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one (CAS: 6559-91-7)?

This compound is a complex organic molecule with a fused ring system, featuring hydroxyl and methoxy functional groups. Its chemical structure includes multiple stereocenters, with the specified configuration (5R,5aR,8aR,9S), and is classified as a dioxolane derivative. It is primarily used in specialized chemical research and pharmaceutical applications due to its unique molecular framework and potential biological activity.

What are the main uses of (5R,5aR,8aR,9S)-9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one (CAS: 6559-91-7)?

This compound is mainly utilized in pharmaceutical research as a potential therapeutic agent or drug candidate, particularly in the development of neuroprotective and anti-inflammatory medications. It also serves as a key intermediate in organic synthesis and chemical studies involving complex heterocyclic structures.

Is (5R,5aR,8aR,9S)-9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one (CAS: 6559-91-7) safe?

Safety data for this compound is limited, but standard handling precautions apply. It should be used in controlled laboratory environments with appropriate protective measures, such as gloves and goggles, to minimize exposure. Safety assessments are ongoing, and adherence to chemical safety guidelines is recommended for its use in research and industrial settings.

How should (5R,5aR,8aR,9S)-9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one (CAS: 6559-91-7) be stored?

This compound should be stored in a cool, dry place (ideally 2-8°C), protected from light, and in airtight containers to prevent moisture absorption. It is sensitive to humidity and light, so storage conditions must ensure stability. Keep away from incompatible materials and follow manufacturer guidelines for long-term preservation.