Escin, monosodium salt

Basic Information

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CAS Number

20977-05-3

Molecular Formula

C54H84NaO23+

Molecular Weight

1124.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

SMILES

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OCC1OC(OC2C(O)C(OC3OCC(C(C3O)O)O)C(OC2C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CC2C4(C3CC(C(O2)C4O)(C)C)COC(=O)C(C(OC(=O)C)C)C)C)C)C(C(C1O)O)O.[Na+]

InChI

1S/C54H84O23.Na/c1-22(23(2)71-24(3)57)45(68)70-21-54-26-16-49(4,5)43(42(54)65)73-32(54)17-53(9)25(26)10-11-30-50(6)14-13-31(51(7,20-56)29(50)12-15-52(30,53)8)74-48-40(76-46-36(62)33(59)27(58)19-69-46)38(64)39(41(77-48)44(66)67)75-47-37(63)35(61)34(60)28(18-55)72-47;/h10,22-23,26-43,46-48,55-56,58-65H,11-21H2,1-9H3,(H,66,67);/q;+1/t22?,23?,26?,27-,28-,29?,30?,31?,32-,33+,34-,35+,36-,37-,38+,39+,40-,41+,42?,43-,46+,47-,48-,50?,51-,52?,53-,54?;/m1./s1

InChIKey

OJTQULAMLNBGOY-RRKCPRGASA-N

Complexity

2230

Synonyms & References

English

Escin, monosodium salt
Sodium escinate
Aescin polysulphate sodium salt
Entsufon SodiuM
Sodium Aescinate
butanoic acid, 3-(acetyloxy)-2-methyl-, (5xi,8xi,9xi,10xi,16alpha,17xi,18xi,21beta)-16,21-epoxy-3-[[O-alpha-D-glucopyranosyl-(1->4)-O-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranuronosyl]oxy]-22,24-dihydroxyolean-12-en-28-yl ester, monosodium salt
Escin monosodium salt
Sodium;(2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,7R,8R,9S,12R,13R,17S,20S,21R,22S)-22-[(3-acetyloxy-2-methylbut
Escin, sodium salt
Na-Aescinat
Aescin sodium salt
Aescusan sodium salt
Sodium-Aescinate
Escin,monosodiumsalt