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
C\C=C(\C)C(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
InChI
InChIKey=YOSIWGSGLDDTHJ-OXPBSUTMSA-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
| Molecular Formula | C55H86O24 |
| Molecular Weight | 1131.2569 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 27 / 27 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
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
PubMed
| Title | Date | PubMed |
|---|---|---|
| Determination of Four Major Saponins in Skin and Endosperm of Seeds of Horse Chestnut (Aesculus Hippocastanum L.) Using High Performance Liquid Chromatography with Positive Confirmation by Thin Layer Chromatography. | 2015-11 |
|
| Comparative pharmacokinetics and the bioavailability of escin Ib and isoescin Ib following the administration of escin, pure escin Ib and isoescin Ib in rats. | 2014-02-03 |
|
| Simultaneous analysis of isomers of escin saponins in human plasma by liquid chromatography-tandem mass spectrometry: application to a pharmacokinetic study after oral administration. | 2010-04-01 |
|
| Determination of four major saponins in the seeds of Aesculus chinensis Bunge using accelerated solvent extraction followed by high-performance liquid chromatography and electrospray-time of flight mass spectrometry. | 2007-07-23 |
|
| Anti-HIV-1 protease triterpenoid saponins from the seeds of Aesculus chinensis. | 1999-11 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:43:41 GMT 2025
by
admin
on
Mon Mar 31 23:43:41 GMT 2025
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| Record UNII |
63505RAS3F
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| Record Status |
Validated (UNII)
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219944-46-4
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63505RAS3F
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6476033
Created by
admin on Mon Mar 31 23:43:41 GMT 2025 , Edited by admin on Mon Mar 31 23:43:41 GMT 2025
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