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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H27NO7
Molecular Weight 357.3988
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UPLANDICINE

SMILES

[H][C@@]12[C@@H](CCN1CC=C2COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)OC(C)=O

InChI

InChIKey=IHRIHUJNKKMIDN-YYGKBEQOSA-N
InChI=1S/C17H27NO7/c1-10(19)17(23,16(3,4)22)15(21)24-9-12-5-7-18-8-6-13(14(12)18)25-11(2)20/h5,10,13-14,19,22-23H,6-9H2,1-4H3/t10-,13+,14+,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H27NO7
Molecular Weight 357.3988
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:04:38 GMT 2023
Edited
by admin
on Sat Dec 16 09:04:38 GMT 2023
Record UNII
Q6W9HXK537
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UPLANDICINE
Common Name English
7-ACETYL-9-ECHIMIDINYLRETRONECINE
Common Name English
L-THREO-PENTITOL, 3-C-((((1R,7AR)-1-(ACETYLOXY)-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-7-YL)METHOXY)CARBONYL)-1,5-DIDEOXY-2-C-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80225198
Created by admin on Sat Dec 16 09:04:38 GMT 2023 , Edited by admin on Sat Dec 16 09:04:38 GMT 2023
PRIMARY
PUBCHEM
156778
Created by admin on Sat Dec 16 09:04:38 GMT 2023 , Edited by admin on Sat Dec 16 09:04:38 GMT 2023
PRIMARY
FDA UNII
Q6W9HXK537
Created by admin on Sat Dec 16 09:04:38 GMT 2023 , Edited by admin on Sat Dec 16 09:04:38 GMT 2023
PRIMARY
CAS
74202-10-1
Created by admin on Sat Dec 16 09:04:38 GMT 2023 , Edited by admin on Sat Dec 16 09:04:38 GMT 2023
PRIMARY