Methyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Basic Information

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CAS Number

548-37-8

Molecular Formula

C17H24O10

Molecular Weight

388.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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 Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

180-182°C

Boiling Point

610.1 ℃ at 760 mmHg

Solubility

Methanol

Specific Rotation

D25 -173° (water)

SMILES

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CC1CC(=O)C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1

InChIKey

HLXRWTJXGMHOFN-XJSNKYLASA-N

LogP

-1.9425999999999983

Topological Polar Surface Area

151.98000000000002 Å²

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

619

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Cornin (glycoside)
MLS002473076
MFCD00017414
Verbenalin, European Pharmacopoeia (EP) Reference Standard
NSC118055
Glucopyranoside, verbenalol, beta-D-
AC-34497
Verbenalol, beta-D-glucopyranoside
cornin iridoid
LMPR0102070016
Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S-(1alpha,4aalpha,7alpha,7aalpha))-
Verbenalol glucoside
HMS2198M18
HY-N2014
CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-7-METHYL-5-OXO-, METHYL ESTER, (1S,4AS,7S,7AR)-
Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-, methyl ester, (1S-(1-alpha,4a-alpha,7-alapha,7a-alpha))-
Methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
71B68181Z6
Verbenalin
Cornin, >=98% (HPLC)
Cornin
CHEMBL1080178
NSC 118055
methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Cyclopenta[c]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S,4aS,7S,7aR)-
Q18559312
SMR001397179
s9301
C09802
CHEBI:9954
NSC-118055

MDL Number

MFCD27996262

FAQ

What is Methyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 548-37-8)?

Methyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate is a complex organic compound with a glucose derivative and a methyl carboxylate group. It is characterized by its unique stereochemistry and ring structure, making it suitable for various chemical applications.

What are the main uses of Methyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 548-37-8)?

This compound is primarily used in pharmaceuticals, serving as a intermediates in the synthesis of active pharmaceutical ingredients. It also finds applications in research and development for its structural complexity and potential bioactivity.

Is Methyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 548-37-8) safe?

The compound is generally safe when handled properly. It is not considered highly toxic, but precautions should be taken during synthesis and use. Users should follow standard safety guidelines, wear appropriate personal protective equipment, and ensure proper ventilation. Storage should be in a dry, cool place away from direct sunlight.

How should Methyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 548-37-8) be stored?

Store in a cool, dry place away from direct sunlight and heat sources. Maintain a temperature below 25°C and a relative humidity of less than 60%. Use airtight, light-resistant containers to prevent degradation. Ensure proper ventilation and avoid contact with incompatible materials.