Tussilagone | CAS No. 104012-37-5

Tussilagone

Basic Information

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CAS Number

104012-37-5

Molecular Formula

C23H34O5

Molecular Weight

390.5 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

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

100-101°C

Solubility

Insuluble (8.2E-3 g/L) (25 ºC),

SMILES

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CCC(=CC(=O)OC1CC(C2C(C1=C)CC(=O)C2C(C)OC(=O)C)C(C)C)C

InChI

InChI=1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+/t15-,17+,18+,20-,22+,23+/m1/s1

InChIKey

CFUPNMDNSQIWBB-UUVDBSHOSA-N

LogP

4.259600000000004

Topological Polar Surface Area

69.67000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

675

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

UNII-95N0GBB2SX
L-652469
MS-26511
CS-0016808
S9180
CCG-268534
(7R,14R)-14-Acetoxy-7-((2'E)-3'-methylpent-2'-enoyloxy)-oplopanone
Q27271803
Tussilagone
DTXSID801318139
2-PENTENOIC ACID, 3-METHYL-, 1-(1-(ACETYLOXY)ETHYL)OCTAHYDRO-4-METHYLENE-7-(1-METHYLETHYL)-2-OXO-1H-INDEN-5-YL ESTER, (1S-(1.ALPHA.(S*),3A.BETA.,5.BETA.(E),7.ALPHA.,7A.ALPHA.))-
2-Pentenoic acid, 3-methyl-, 1-(1-(acetyloxy)ethyl)octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (1S-(1-alpha(S*),3a-beta,5-beta(E),7-alpha,7a-alpha))-
AKOS040759061
2-Pentenoic acid, 3-methyl-, 1-(1-(acetyloxy)ethyl)octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (1S-(1alpha(S*),3abeta,5beta(E),7alpha,7aalpha))-
104012-37-5
2-PENTENOIC ACID, 3-METHYL-, (1S,3AR,5R,7S,7AS)-1-((1R)-1-(ACETYLOXY)ETHYL)OCTAHYDRO-4-METHYLENE-7-(1-METHYLETHYL)-2-OXO-1H-INDEN-5-YL ESTER, (2E)-
AC-34378
oplopanone, (7R,14R)-14-acetoxy-7-((2E)-3'-methylpent-2'-enoyloxy)-
95N0GBB2SX
HY-N1388
2-Pentenoic acid,3-methyl-,(1S,3aR,5R,7S,7aS)-1-[(1R)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-ylester, (2E)-
[(1R,3aR,5R,7S,7aS)-1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
2-Pentenoic acid,3-methyl-,(1S,3aR,5R,7S,7aS)-1-[(1R)-1-(acetyloxy)ethyl]octahydro-4-methylene...
2-Pentenoic acid,3-methyl-,(1S,3aR,5R,7S,7aS)-1-[(1R)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-ind
L 652469
Tussilagone, 98%, from Farfarae Flos
[(1R,5R,7S)-1-(1-Acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-
[(1S,3Ar,5R,7S,7aS)-1-[(1R)-1-acetyloxyethyl]-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
[1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate

MDL Number

MFCD01709134

FAQ

What is Tussilagone (CAS: 104012-37-5)?

Tussilagone is a naturally occurring sesquiterpene lactone found in the bulbs of the marsh marigold, Caltha palustris. It has a chemical formula of C15H18O2 and exhibits anti-inflammatory and anti-asthmatic properties.

What are the main uses of Tussilagone (CAS: 104012-37-5)?

Tussilagone is primarily used as an anti-inflammatory agent and for its bronchodilatory effects. It is explored in the development of treatments for respiratory conditions such as asthma and chronic obstructive pulmonary disease (COPD).

Is Tussilagone (CAS: 104012-37-5) safe?

Tussilagone is generally considered safe when used in controlled medical applications. However, it is essential to follow safety guidelines and precautions to avoid potential adverse effects. Always consult a healthcare professional before use.

How should Tussilagone (CAS: 104012-37-5) be stored?

Tussilagone should be stored in a cool, dark place to maintain its stability. Keep the compound in a tightly sealed container away from direct sunlight and moisture. The optimal storage temperature is between 15-25°C (59-77°F).