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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H32O7
Molecular Weight 384.4639
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICOTABACOSIDE A

SMILES

[H][C@@]3(O[C@H]1[C@@H](O)CC2=C(C[C@@H](CC2)C(C)=C)[C@@H]1C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

InChI

InChIKey=VPJKRQCKSFZFOG-OOYWNGQDSA-N
InChI=1S/C20H32O7/c1-9(2)11-4-5-12-7-14(22)19(10(3)13(12)6-11)27-20-18(25)17(24)16(23)15(8-21)26-20/h10-11,14-25H,1,4-8H2,2-3H3/t10-,11+,14-,15+,16+,17-,18+,19+,20-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NICOTABACOSIDE A
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, (1S,2R,3S,7R)-1,2,3,4,5,6,7,8-OCTAHYDRO-3-HYDROXY-1-METHYL-7-(1-METHYLETHENYL)-2-NAPHTHALENYL
Systematic Name English
Code System Code Type Description
CAS
1702365-62-5
Created by admin on Sat Dec 16 11:27:36 GMT 2023 , Edited by admin on Sat Dec 16 11:27:36 GMT 2023
PRIMARY
FDA UNII
LGY44NDN5Z
Created by admin on Sat Dec 16 11:27:36 GMT 2023 , Edited by admin on Sat Dec 16 11:27:36 GMT 2023
PRIMARY
PUBCHEM
162368352
Created by admin on Sat Dec 16 11:27:36 GMT 2023 , Edited by admin on Sat Dec 16 11:27:36 GMT 2023
PRIMARY