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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H66O12
Molecular Weight 750.9555
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-HEDERIN

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(O)=O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=KEOITPILCOILGM-LLJOFIFVSA-N
InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1

HIDE SMILES / InChI

Molecular Formula C41H66O12
Molecular Weight 750.9555
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:05:43 GMT 2025
Edited
by admin
on Mon Mar 31 21:05:43 GMT 2025
Record UNII
4H15F0GLV2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-106553
Preferred Name English
.ALPHA.-HEDERIN
MI  
Common Name English
HELIXIN
Common Name English
(4ALPHA)-3BETA-((2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-ALPHA- L-ARABINOPYRANOSYL)OXY)-23-HYDROXYOLEAN-12-EN-28-OIC ACID
Common Name English
Alfa-hederina [WHO-DD]
Common Name English
KALOPANAXSAPONIN A
Common Name English
GLYCOSIDE L-E1
Common Name English
OLEAN-12-EN-28-OIC ACID, 3-((2-O-(6-DEOXY-ALPHA-L- MANNOPYRANOSYL)-ALPHA-L-ARABINOPYRANOSYL)OXY)-23-HYDROXY-, (3-BETA,4-ALPHA)-
Common Name English
TAUROSIDE E
Common Name English
NEPALIN 2
Common Name English
AKEBIA SAPONIN PD
Common Name English
AKEBOSIDE STC
Common Name English
KIZUTA SAPONIN K6
Common Name English
KORONAROSIDE A
Common Name English
ALFA-HEDERINA
WHO-DD  
Common Name English
(4.ALPHA.)-3.BETA.-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.ALPHA.- L-ARABINOPYRANOSYL)OXY)-23-HYDROXYOLEAN-12-EN-28-OIC ACID
Common Name English
HEDEROSIDE C
Common Name English
PROSAPOGENIN CP3B
Common Name English
ALPHA-HEDERIN
Common Name English
ALPHA-HEDERINE
Common Name English
SAPINDOSIDE A
Common Name English
PULSATILLA SAPONIN A
Common Name English
.ALPHA.-HEDERIN [MI]
Common Name English
Code System Code Type Description
WIKIPEDIA
?-Hederin
Created by admin on Mon Mar 31 21:05:43 GMT 2025 , Edited by admin on Mon Mar 31 21:05:43 GMT 2025
PRIMARY
MERCK INDEX
m5930
Created by admin on Mon Mar 31 21:05:43 GMT 2025 , Edited by admin on Mon Mar 31 21:05:43 GMT 2025
PRIMARY Merck Index
FDA UNII
4H15F0GLV2
Created by admin on Mon Mar 31 21:05:43 GMT 2025 , Edited by admin on Mon Mar 31 21:05:43 GMT 2025
PRIMARY
CAS
27013-91-8
Created by admin on Mon Mar 31 21:05:43 GMT 2025 , Edited by admin on Mon Mar 31 21:05:43 GMT 2025
PRIMARY
PUBCHEM
73296
Created by admin on Mon Mar 31 21:05:43 GMT 2025 , Edited by admin on Mon Mar 31 21:05:43 GMT 2025
PRIMARY
NSC
106553
Created by admin on Mon Mar 31 21:05:43 GMT 2025 , Edited by admin on Mon Mar 31 21:05:43 GMT 2025
PRIMARY
SMS_ID
100000128809
Created by admin on Mon Mar 31 21:05:43 GMT 2025 , Edited by admin on Mon Mar 31 21:05:43 GMT 2025
PRIMARY
CHEBI
69370
Created by admin on Mon Mar 31 21:05:43 GMT 2025 , Edited by admin on Mon Mar 31 21:05:43 GMT 2025
PRIMARY
ECHA (EC/EINECS)
248-166-5
Created by admin on Mon Mar 31 21:05:43 GMT 2025 , Edited by admin on Mon Mar 31 21:05:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID80909168
Created by admin on Mon Mar 31 21:05:43 GMT 2025 , Edited by admin on Mon Mar 31 21:05:43 GMT 2025
PRIMARY
EVMPD
SUB36353
Created by admin on Mon Mar 31 21:05:43 GMT 2025 , Edited by admin on Mon Mar 31 21:05:43 GMT 2025
PRIMARY