Sprengerinin C

Basic Information

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CAS Number

88861-91-0

Molecular Formula

C44H70O16

Molecular Weight

855.03 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

262-265 ºC (methanol )

Density

1.40±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (2.1E-3 g/L) (25 ºC),

SMILES

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CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

InChI

InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-35(51)33(49)31(47)21(3)55-40)36(52)37(29(16-45)57-41)58-39-34(50)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-/m1/s1

InChIKey

HSOMTBUZSIVDQK-QYOOOATOSA-N

LogP

0.8532000000000057

Topological Polar Surface Area

235.67999999999995 Å²

Hydrogen Bond Donor/Acceptor

8 / 16

Complexity

1570

Synonyms & References

English

Sprengerinin C
(2S,3R,4R,5R,6S)-2-(((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-(((4S,5'R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
(3beta,25R)-Spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1→2)-O-[beta-D-xylopyranosyl-(1→4)]-beta-D-glucopyranoside
[ "" ]
2-[4-Hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4R,6R,8R,9S,12R,13R)-5',7,9,13-tetramethylspiro[5-oxapentac
(3β,25R)-Spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranoside (ACI)
CS-0016600
88861-91-0
HY-N1213
DA-67733
AKOS032962659
CHEMBL505077
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

MDL Number

MFCD06203537

FAQ

What regulatory guidelines apply to Sprengerinin C (CAS: 88861-91-0)?

Sprengerinin C (CAS: 88861-91-0) falls under the scope of the REACH regulations in the European Union, which mandates registration, evaluation, authorization, and restriction of chemicals. Additionally, it should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazard communication. In the USA, the EPA may require reporting under the Toxic Substances Control Act (TSCA).

Are there alternatives to Sprengerinin C (CAS: 88861-91-0) in synthesis?

Alternative reagents to Sprengerinin C (CAS: 88861-91-0) include similar isomers and analogues such as Sprengerinin A and B. These are often used as substitutes in synthesis due to their structural similarities and comparable bioactivities. Other common alternatives include synthetic equivalents that offer comparable properties but with different chemical structures.

What is the market or research trend for Sprengerinin C (CAS: 88861-91-0)?

Sprengerinin C (CAS: 88861-91-0) has seen growing interest in research for its potential anti-inflammatory and anti-cancer properties. Market trends indicate increasing demand for this compound in pharmaceutical and natural product research. Recent studies focus on developing it into new therapeutic agents and understanding its mechanisms of action.

How should waste containing Sprengerinin C (CAS: 88861-91-0) be handled?

Waste containing Sprengerinin C (CAS: 88861-91-0) should be collected in sealed, non-reactive containers and stored in a cool, well-ventilated area away from heat and open flames. Proper disposal should follow local regulations; if necessary, consult with a hazardous waste management professional for safe incineration or chemical treatment methods to minimize environmental impact.