Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C55H86O24 |
Molecular Weight | 1131.2569 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 27 / 27 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]8(O[C@H]1[C@H](O)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]([H])(O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C6[C@]7([H])CC(C)(C)[C@@H](OC(=O)C(\C)=C\C)[C@H](O)[C@]7(COC(C)=O)[C@H](O)C[C@@]56C)[C@@]3(C)CO)O[C@@H]1C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O
InChI
InChIKey=YOSIWGSGLDDTHJ-IVKVKCDBSA-N
InChI=1S/C55H86O24/c1-10-23(2)46(71)79-44-43(68)55(22-72-24(3)59)26(17-50(44,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)60)75-49-41(77-48-38(66)36(64)34(62)28(20-57)74-48)39(67)40(42(78-49)45(69)70)76-47-37(65)35(63)33(61)27(19-56)73-47/h10-11,26-44,47-49,56-58,60-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1
DescriptionSources: doi:10.1248/cpb.52.1246https://www.ncbi.nlm.nih.gov/pubmed/22094055Curator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/24334163
Sources: doi:10.1248/cpb.52.1246https://www.ncbi.nlm.nih.gov/pubmed/22094055
Curator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/24334163
Escin Ia and isoescin Ia have been traditionally used clinically as the chief active ingredients of escin, a major triterpene saponin isolated from horse chestnut (Aesculus hippocastanum) seeds for the treatment of chronic venous insufficiency, hemorrhoids, inflammation and edema. The interconversion of escin Ia and isoescin Ia when given alone indicates that administration of one isomer leads to exposure to the other.
Approval Year
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6476032
Created by
admin on Sat Dec 16 10:28:58 GMT 2023 , Edited by admin on Sat Dec 16 10:28:58 GMT 2023
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219944-39-5
Created by
admin on Sat Dec 16 10:28:58 GMT 2023 , Edited by admin on Sat Dec 16 10:28:58 GMT 2023
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8V9S680B81
Created by
admin on Sat Dec 16 10:28:58 GMT 2023 , Edited by admin on Sat Dec 16 10:28:58 GMT 2023
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PRIMARY |
SUBSTANCE RECORD