ALPHA-CHACONINE

Basic Information

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CAS Number

20562-03-2

Molecular Formula

C45H73NO14

Molecular Weight

852.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

228-236 °C

Solubility

Insuluble (3.9E-4 g/L) (25 ºC),

SMILES

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CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C

InChI

InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1

InChIKey

TYNQWWGVEGFKRU-AJDPQWBVSA-N

LogP

1.182800000000005

Topological Polar Surface Area

220.45999999999998 Å²

Hydrogen Bond Donor/Acceptor

8 / 15

Complexity

1570

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Storage Conditions

2-8℃

Synonyms & References

English

BRN 0077396
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.)-SOLANID-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-
Chaconine
AKOS040760264
alpha-?Chaconine
HY-129113
alpha-Chaconine
5QOL0LIM81
(2S, 3R, 4R, 5R, 6S)-2-[(2R, 3S, 4S, 5R, 6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S, 2S, 7S, 10R, 11S, 14S, 15R, 16S, 17R, 20S, 23S)-10, 14, 16, 20-tetramethyl-22-azahexacyclo[12.10.0.02, 11.05, 10.015, 23.017, 22]tetracos-4-en-7-yl]oxy]-5-[(2S, 3R, 4R, 5R, 6S)-3, 4, 5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3, 4, 5-triol
.ALPHA.-CHACONINE [MI]
NS00094322
4-21-00-01401 (Beilstein Handbook Reference)
Q2947331
UNII-5QOL0LIM81
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
??-?Chaconine
A-Chaconine
beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-
20562-03-2
.alpha.-Chaconine
CHEBI:10219
CCRIS 6509
DTXSID501016601
CS-0103657
alpha -Chaconine
MS-31576
ALPHA-CHACONINE
b-D-Glucopyranoside, (3b)-solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1&reg
CHACONINE, ALPHA-(AS) PrintBack
α-CHACONINE

MDL Number

MFCD09039102

FAQ

What regulatory guidelines apply to ALPHA-CHACONINE (CAS: 20562-03-2)?

ALPHA-CHACONINE (CAS: 20562-03-2) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in Europe, and the EPA in the U.S. It is classified as a toxic substance. Manufacturers and importers must ensure compliance with these guidelines, including proper labeling, documentation, and risk management plans.

Are there alternatives to ALPHA-CHACONINE (CAS: 20562-03-2) in synthesis?

Alternatives to ALPHA-CHACONINE (CAS: 20562-03-2) include isomers such as BETA-CHACONINE and analogs like COCOSTERNINE. Common alternative reagents in synthesis include isobutyric anhydride or acetic anhydride, which can provide similar functionalities with potentially reduced toxicity and environmental impact.

What is the market or research trend for ALPHA-CHACONINE (CAS: 20562-03-2)?

Market interest in ALPHA-CHACONINE (CAS: 20562-03-2) is growing due to its potential in natural product chemistry and pharmaceutical research. Recent studies focus on its role as a bioactive compound, particularly in anti-inflammatory and anticancer applications. Research trends indicate increased exploration of its chemical derivatives and synthetic pathways.

How should waste containing ALPHA-CHACONINE (CAS: 20562-03-2) be handled?

Waste containing ALPHA-CHACONINE (CAS: 20562-03-2) should be collected in appropriate containers lined with absorbent material to prevent spillage. It should then be neutralized to reduce toxicity before incineration or disposal by a licensed waste management company. Environmental protection measures include proper ventilation and personal protective equipment to ensure safety during handling and disposal.