Original price was: $400.00.$320.00Current price is: $320.00.
| CAS No.: | 158800-83-0 |
| Molecular Formula | C₅₄H₈₄O₂₃ |
| Molecular Weight | 1101.20 g/mol |
| Purity | HPLC≥98% |
| Chemical Family | Triterpenoids |
| Weight |
|---|
* Warning: BIORLAB’s Natural Compounds are for laboratory research purposes only.
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,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-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
InChI: InChI=1S/C54H84O23/c1-10-23(2)45(69)77-42-43(71-24(3)58)54(22-57)26(17-49(42,4)5)25-11-12-30-50(6)15-14-32(51(7,21-56)29(50)13-16-52(30,8)53(25,9)18-31(54)60)73-48-40(75-46-36(64)33(61)27(59)20-70-46)38(66)39(41(76-48)44(67)68)74-47-37(65)35(63)34(62)28(19-55)72-47/h10-11,26-43,46-48,55-57,59-66H,12-22H2,1-9H3,(H,67,68)/b23-10-/t26-,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-/m0/s1
InChIKey: MLLNRQWNTKNRGQ-GJSMMZDWSA-N
SMILES: C/C=C(/C)C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C
Synonyms: Escin IIb; 158800-83-0; Aescin IIb; UNII-06035642G6; Escin iib (constituent of horse chestnut) [DSC]; 06035642G6; beta-D-Glucopyranosiduronic acid, (3beta,4beta,16alpha,21beta,22alpha)-22-(acetyloxy)-16,23,28-trihydroxy-21-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)olean-12-en-3-yl o-beta-D-glucopyranosyl-(1->4)-O-(beta-D-xylopyranosyl-(1->2))-; EX-A6790; …
Botanical Source:
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