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CAS RN 6805-41-0

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 Name: (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
Synonyms: escin
Molecular Weight (g/mol): 2262.54
Molecular Formula: 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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Aescin, 98%

CAS: 6805-41-0 Molecular Formula: C55H86O24 Molecular Weight (g/mol): 1131.269 MDL Number: MFCD00076054 InChI Key: AXNVHPCVMSNXNP-XJVYZZIXSA-N Synonym: aescin PubChem CID: 133640184 IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8S,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-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

PubChem CID 133640184
CAS 6805-41-0
Molecular Weight (g/mol) 1131.269
MDL Number 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
Synonym aescin
IUPAC Name (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8S,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2R,3S,4R,5R,
InChI Key AXNVHPCVMSNXNP-XJVYZZIXSA-N
Molecular Formula C55H86O24
2

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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