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H3CH3COO(R)(R)OH3CO(R)OH(R)OH(S)CH3(R)H3CO(R)O(S)(S)O(S)O(R)OH(S)OH(S)OH(R)HO(S)OH(R)O(S)O(R)OH(S)OH(S)OH(R)HOOHO(S)H3COH(R)CH3CH3H3CCH3H3COO(R)(R)OH3CO(R)OH(R)OH(S)CH3(R)H3CO(R)O(S)(S)O(S)O(R)OH(S)OH(S)OH(R)HO(S)OH(R)O(S)O(R)OH(S)OH(S)OH(R)HOOHO(S)H3COH(R)CH3CH3H3C(E)(Z)

CAS RN 6805-41-0

IUPAC Nombre: (2S,3S,4S,5R,6R)-6-{[(4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid; (2S,3S,4S,5R,6R)-6-{[(4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid
Sinónimos: escin
Peso molecular (g/mol): 2262.54
Fórmula molecular: C110H172O48
InChi Key: YFESOSRPNPYODN-RSMWSHJLSA-N
SMILES: C\C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CCC(O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)C2CC1(C)C.C\C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CCC(O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)C2CC1(C)C
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Promociones disponibles

Escina, 98 %, Thermo Scientific Chemicals

CAS: 6805-41-0 Fórmula molecular: C55H86O24 Peso molecular (g/mol): 1131.269 Número MDL: MFCD00076054 Clave InChI: AXNVHPCVMSNXNP-XJVYZZIXSA-N Sinónimo: aescin PubChem CID: 133640184 Nombre IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8S,8aR,9R,10R,14bR)-9-acetiloxi-8-hidroxi-4,8a-bis(hidroximetil)-4,6a,6b,11,11,14b-hexametil-10-[(Z)-2-metilbut-2-enoil]oxi-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahidropicen-3-il]oxi]-4-hidroxi-3-[(2R,3S,4R,5R, SMILES: CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C

Sinónimo aescin
Clave InChI AXNVHPCVMSNXNP-XJVYZZIXSA-N
PubChem CID 133640184
Fórmula molecular C55H86O24
CAS 6805-41-0
Peso molecular (g/mol) 1131.269
Número MDL MFCD00076054
SMILES CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C
Nombre IUPAC (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8S,8aR,9R,10R,14bR)-9-acetiloxi-8-hidroxi-4,8a-bis(hidroximetil)-4,6a,6b,11,11,14b-hexametil-10-[(Z)-2-metilbut-2-enoil]oxi-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahidropicen-3-il]oxi]-4-hidroxi-3-[(2R,3S,4R,5R,
2

Escin (mezcla de saponinas naturales, grado técnico), TRC

CAS: 6805-41-0 Fórmula molecular: C55H86O24 Peso molecular (g/mol): 1131.27 Sinónimo: 3-(4-O-β-D-glucopyranosyl-2-O-β-D-xylopyranosyl-β-D-glucopyranuronoside)escigenin 3-Hydroxy-2-methylbutyrate Acetate,3,5-Epoxypicene, escin deriv.,Oleanane Escin deriv.,Aescin,Aescine,Aescusan,Ba 2672,Escusan,Eskuzan,Flebostasin Retard Nombre IUPAC: (2S,3S,4S,5R)-6-(((3S,) 4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetoxi-8-hidroxi-4,8a-bis(hidroximetil)-4,6a,6b,11,14b-hexametil-10-(((E)-2-metilbut-2-enoil)oxi)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahidropicen-3-il)oxi)-4-hidroxi-3,5-bis((2S,3R,4S,5S,6R)-3,4,5-trihidroxi-6-(hidroximetil)tetrahidro-2H-piran-2-il)oxi)tetrahidro-2H-piran-2-carboxílico ácido SMILES: O[C@@H]1C[C@@]2(C)[C@]3(C)CCC4[C@](CO)(C)[C@@H](OC5O[C@H](C(O)=O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]4(C)C3CC=C2C8[C@]1(CO)[C@@H](OC(C)=O)[C@H](OC(/C(C)=C/C)=O)C(C)(C)C8

Sinónimo 3-(4-O-β-D-glucopyranosyl-2-O-β-D-xylopyranosyl-β-D-glucopyranuronoside)escigenin 3-Hydroxy-2-methylbutyrate Acetate,3,5-Epoxypicene, escin deriv.,Oleanane Escin deriv.,Aescin,Aescine,Aescusan,Ba 2672,Escusan,Eskuzan,Flebostasin Retard
Fórmula molecular C55H86O24
CAS 6805-41-0
Peso molecular (g/mol) 1131.27
SMILES O[C@@H]1C[C@@]2(C)[C@]3(C)CCC4[C@](CO)(C)[C@@H](OC5O[C@H](C(O)=O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]4(C)C3CC=C2C8[C@]1(CO)[C@@H](OC(C)=O)[C@H](OC(/C(C)=C/C)=O)C(C)(C)C8
Nombre IUPAC (2S,3S,4S,5R)-6-(((3S,) 4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetoxi-8-hidroxi-4,8a-bis(hidroximetil)-4,6a,6b,11,14b-hexametil-10-(((E)-2-metilbut-2-enoil)oxi)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahidropicen-3-il)oxi)-4-hidroxi-3,5-bis((2S,3R,4S,5S,6R)-3,4,5-trihidroxi-6-(hidroximetil)tetrahidro-2H-piran-2-il)oxi)tetrahidro-2H-piran-2-carboxílico ácido
3

Escin, MedChemExpress

MedChemExpress Escin, a natural compound of triterpenoid saponins isolated from horse chestnut (Aesculus hippocastanum) seeds, can be used as a vasoprotective anti-inflammatory, anti-edematous and anti-nociceptive agent.

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