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Details

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

SHOW SMILES / InChI
Structure of NICOTABACOSIDE C

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C20H32O7
Molecular Weight 384.4639
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:27:41 UTC 2023
Edited
by admin
on Sat Dec 16 11:27:41 UTC 2023
Record UNII
6PWC5PRC55
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NICOTABACOSIDE C
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, (2R,3R,4S,6R)-1,2,3,4,5,6,7,8-OCTAHYDRO-3-HYDROXY-4-METHYL-6-(1-METHYLETHENYL)-2-NAPHTHALENYL
Systematic Name English
Code System Code Type Description
FDA UNII
6PWC5PRC55
Created by admin on Sat Dec 16 11:27:41 UTC 2023 , Edited by admin on Sat Dec 16 11:27:41 UTC 2023
PRIMARY
PUBCHEM
162623629
Created by admin on Sat Dec 16 11:27:41 UTC 2023 , Edited by admin on Sat Dec 16 11:27:41 UTC 2023
PRIMARY
CAS
1702365-64-7
Created by admin on Sat Dec 16 11:27:41 UTC 2023 , Edited by admin on Sat Dec 16 11:27:41 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Compound was extracted from the dried leaves of N. tabacum (3.5 kg) with 90% EtOH at room temperature and partitioned between EtOAc and H2O.