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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H53NO6
Molecular Weight 559.777
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .GAMMA.-SOLANINE

SMILES

[H][C@]12CC[C@H](C)CN1[C@@]3([H])C[C@@]4([H])[C@]5([H])CC=C6C[C@H](CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@@]3([H])[C@@H]2C)O[C@]7([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=IDGKMGZVTKHZDA-XTTMRYAPSA-N
InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H53NO6
Molecular Weight 559.777
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:33:34 GMT 2023
Edited
by admin
on Fri Dec 15 16:33:34 GMT 2023
Record UNII
LKD226IDCZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.GAMMA.-SOLANINE
Common Name English
.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.)-SOLANID-5-EN-3-YL
Common Name English
SOLANIDINE 3.BETA.-D-MONOGALACTOSIDE
Common Name English
Code System Code Type Description
PUBCHEM
20841681
Created by admin on Fri Dec 15 16:33:34 GMT 2023 , Edited by admin on Fri Dec 15 16:33:34 GMT 2023
PRIMARY
FDA UNII
LKD226IDCZ
Created by admin on Fri Dec 15 16:33:34 GMT 2023 , Edited by admin on Fri Dec 15 16:33:34 GMT 2023
PRIMARY
CAS
511-37-5
Created by admin on Fri Dec 15 16:33:34 GMT 2023 , Edited by admin on Fri Dec 15 16:33:34 GMT 2023
PRIMARY