U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H28O11
Molecular Weight 540.5153
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALOERESIN A

SMILES

CC(=O)CC1=CC(=O)C2=C(C)C=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)\C=C\C4=CC=C(O)C=C4)=C2O1

InChI

InChIKey=QACRJXSXSVUOFZ-HINKZNOMSA-N
InChI=1S/C28H28O11/c1-13-9-18(32)23(26-22(13)19(33)11-17(37-26)10-14(2)30)27-28(25(36)24(35)20(12-29)38-27)39-21(34)8-5-15-3-6-16(31)7-4-15/h3-9,11,20,24-25,27-29,31-32,35-36H,10,12H2,1-2H3/b8-5+/t20-,24-,25+,27+,28-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALOERESIN A
MI  
Common Name English
4H-1-BENZOPYRAN-4-ONE, 7-HYDROXY-8-(2-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)-5-METHYL-2-(2-OXOPROPYL)-
Systematic Name English
ALOERESIN A [MI]
Common Name English
ALOE RESIN A
Common Name English
7-HYDROXY-8-(2-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)-5-METHYL-2-(2-OXOPROPYL)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
Code System Code Type Description
CAS
74545-79-2
Created by admin on Sat Dec 16 08:29:52 GMT 2023 , Edited by admin on Sat Dec 16 08:29:52 GMT 2023
PRIMARY
FDA UNII
73899319HU
Created by admin on Sat Dec 16 08:29:52 GMT 2023 , Edited by admin on Sat Dec 16 08:29:52 GMT 2023
PRIMARY
MERCK INDEX
m1571
Created by admin on Sat Dec 16 08:29:52 GMT 2023 , Edited by admin on Sat Dec 16 08:29:52 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID70724605
Created by admin on Sat Dec 16 08:29:52 GMT 2023 , Edited by admin on Sat Dec 16 08:29:52 GMT 2023
PRIMARY
PUBCHEM
5317657
Created by admin on Sat Dec 16 08:29:52 GMT 2023 , Edited by admin on Sat Dec 16 08:29:52 GMT 2023
PRIMARY