(5S,6S,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl benzoate

Basic Information

View in Editor

CAS Number

58546-56-8

Molecular Formula

C30H32O9

Molecular Weight

536.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

110～112℃

Boiling Point

675.6 °C at 760 mmHg

Density

1.3300

Flash Point

218.9 °C

Refractive Index

1.622

SMILES

View in Editor

CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3

InChI

InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1

InChIKey

UFCGDBKFOKKVAC-DSASHONVSA-N

LogP

4.958000000000005

Topological Polar Surface Area

101.91000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 9

Complexity

833

Safety Information

View Safety Information

Storage Conditions

-20℃

Synonyms & References

English

Schisantherin A
[(8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate
Schizantherin A
Gomisin-C
DTXSID70207261
CHEMBL404875
Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, (5S-(5alpha,6beta,7beta))-
AC1L46IR
Arisanschinin K
Gomisin-C;Schizantherin-A;Wuweizi ester-A
SCHISANTHERIN A (GOMISIN C) (CONSTITUENT OF NORTHERN SCHISANDRA)
(5S,6S,7S)-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl benzoate
AKOS015897145
CS-3660
SCHISANTHERIN A (GOMISIN C) (CONSTITUENT OF NORTHERN SCHISANDRA) [DSC]
Gomisin
(5S-(5alpha,6beta,7beta))-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol 5-benzoate
BDBM50418091
UNII-873480KS4A
Gomisin C
AC-34833
Q27108251
MFCD09026937
HY-N0694
58546-56-8
BCP15178
873480KS4A
G0538
Schizantherin-A
AC-11195
Wuweizi ester A

MDL Number

MFCD09026937

FAQ

What is (5S,6S,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl benzoate (CAS: 58546-56-8)?

This compound, with CAS number 58546-56-8, is a complex organic molecule characterized by multiple methoxy and hydroxy groups. It is a benzoate derivative containing a tetrahydrobenzo[1,2-d][1,3]dioxol ring system. Its molecular structure includes stereocenters at positions 5, 6, and 7, contributing to its potential biological activity. The compound is known for its use in specialized research applications due to its unique chemical properties.

What are the main uses of (5S,6S,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl benzoate (CAS: 58546-56-8)?

This compound is primarily used in pharmaceutical research for its potential pharmacological properties. It may also find applications in organic synthesis as a building block for more complex molecules. Due to its structural complexity, it is utilized in academic and industrial studies to explore new chemical interactions and biological activities.

Is (5S,6S,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl benzoate (CAS: 58546-56-8) safe?

Safety data for this compound is limited, but as with many organic compounds, it should be handled with care. It is advisable to use protective gloves, goggles, and a fume hood when working with it. While it is not classified as highly toxic, proper safety protocols are essential to ensure safe handling and minimize exposure risks.

How should (5S,6S,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl benzoate (CAS: 58546-56-8) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is sensitive to moisture and light, so it should be kept in a sealed container with a desiccant. Proper storage conditions are crucial to maintain its chemical stability and prevent degradation over time.