Methyl protodioscin

Basic Information

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CAS Number

54522-52-0

Molecular Formula

C52H86O22

Molecular Weight

1063.2 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

White powder

Density

1.43

Solubility

Methanol

SMILES

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CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC

InChI

InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+,52-/m1/s1

InChIKey

HSSJYSJXBOCKQM-GVTGEURHSA-N

LogP

-1.3255999999999852

Topological Polar Surface Area

335.06 Å²

Hydrogen Bond Donor/Acceptor

12 / 22

Complexity

1920

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

22-METHOXYLPROTODIOSCIN
(3.BETA.,22.ALPHA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-METHOXYFUROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-.BETA.-D-GLUCOPYRANOSIDE
S9300
CS-3910
C17468
CCRIS 4125
CHEMBL453625
HY-N0863
EX-A3795
DTXSID301031695
1VJB6VV6IA
UNII-1VJB6VV6IA
Q27155066
54522-52-0
Methylprotodioscin
3.BETA.,26-DIHYDROXY-22.ALPHA.-METHOXYFUROST-5-ENE 3-O-.BETA.-CHACOTRIOSIDE 26-O-.BETA.-D-GLUCOPYRANOSIDE
CHEBI:81110
MS-31916
beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-
CCG-270624
Methyl protodioscin
NSC-698790
22-O-METHYLPROTODIOSCIN
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,22.ALPHA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-METHOXYFUROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-
[(22R,25R)-22-Methoxy-26-(β-D-glucopyranosyloxy)furosta-5-ene-3β-yl]2-O,4-O-di-α-L-rhamnopyranosyl-β-D-glucopyranoside
[(25R)-26-(β-D-Glucopyranosyloxy)-22α-methoxyfurost-5-en-3β-yl]2-O,4-O-bis(α-L-rhamnopyranosyl)-β-D-glucopyranoside
3b,26-Dihydroxy-22a-methoxyfurost-5-ene 3-O-beta-chacotrioside 26-O-beta-D-glucopyranoside
Smilax saponin B
Methylprotodioscin(SMilax saponin B)
methyl protoneodioscin
(3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-Hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-

MDL Number

MFCD30478892

FAQ

What is Methyl protodioscin (CAS: 54522-52-0)?

Methyl protodioscin (CAS: 54522-52-0) is a steroidal saponin compound derived from the plant Dipsacus. It has the chemical formula C24H44O10 and is known for its solubility in organic solvents. Methyl protodioscin exhibits structural similarity to protodioscin and is characterized by its potential biological activities, including anti-inflammatory and antioxidant properties, making it a subject of interest in chemical research.

What are the main uses of Methyl protodioscin (CAS: 54522-52-0)?

Methyl protodioscin (CAS: 54522-52-0) is primarily used in pharmaceutical research for its potential therapeutic applications, such as anti-cancer and anti-arthritic effects. It also serves as a precursor in the synthesis of other bioactive compounds. In the industry, it is utilized in the development of natural products and medicinal chemicals. Its unique structure makes it valuable for studying saponin-based therapies and their mechanisms.

Is Methyl protodioscin (CAS: 54522-52-0) safe?

Methyl protodioscin (CAS: 54522-52-0) is generally considered safe when handled properly, but its toxicity profile requires careful evaluation. Limited studies suggest it has low acute toxicity, though long-term effects are not fully established. Safety precautions include wearing protective gloves, goggles, and ensuring adequate ventilation. Always follow safety data sheets (SDS) and handle under controlled conditions to minimize exposure risks.

How should Methyl protodioscin (CAS: 54522-52-0) be stored?

Methyl protodioscin (CAS: 54522-52-0) should be stored in a cool, dry place, preferably at 2-8°C, in airtight containers to prevent moisture absorption. Protection from light is essential to maintain stability. Avoid exposure to air and humidity to prevent degradation. Store in a well-ventilated area and keep away from incompatible substances to ensure long-term chemical integrity.