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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38O9
Molecular Weight 530.6066
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of USCHARIDIN

SMILES

[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)[C@]1(C[C@@]6([H])O[C@@]7(O)C(=O)C[C@@H](C)O[C@@]7([H])O[C@]6([H])C2)C=O

InChI

InChIKey=YOCULAYFPPWLRI-OLEQQPCLSA-N
InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-22,25,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,25+,26-,27-,28+,29+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
USCHARIDIN
MI  
Common Name English
(2.ALPHA.,3.BETA.,5.ALPHA.)-14-HYDROXY-19-OXO-2,3-(((2S,3R,6R)-TETRAHYDRO-3-HYDROXY-6-METHYL-4-OXO-2H-PYRAN-3,2-DIYL)BIS(OXY))CARD-20(22)-ENOLIDE
Systematic Name English
USCHARIDIN [MI]
Common Name English
CARD-20(22)-ENOLIDE, 14-HYDROXY-19-OXO-2,3-(((2S,3R,6R)-TETRAHYDRO-3-HYDROXY-6-METHYL-4-OXO-2H-PYRAN-3,2-DIYL)BIS(OXY))-, (2.ALPHA.,3.BETA.,5.ALPHA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30947156
Created by admin on Sat Dec 16 11:22:09 GMT 2023 , Edited by admin on Sat Dec 16 11:22:09 GMT 2023
PRIMARY
CAS
24321-47-9
Created by admin on Sat Dec 16 11:22:09 GMT 2023 , Edited by admin on Sat Dec 16 11:22:09 GMT 2023
PRIMARY
MERCK INDEX
m11347
Created by admin on Sat Dec 16 11:22:09 GMT 2023 , Edited by admin on Sat Dec 16 11:22:09 GMT 2023
PRIMARY Merck Index
FDA UNII
2GU13C5298
Created by admin on Sat Dec 16 11:22:09 GMT 2023 , Edited by admin on Sat Dec 16 11:22:09 GMT 2023
PRIMARY
PUBCHEM
441874
Created by admin on Sat Dec 16 11:22:09 GMT 2023 , Edited by admin on Sat Dec 16 11:22:09 GMT 2023
PRIMARY