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

Details

Stereochemistry ABSOLUTE
Molecular Formula C39H63NO11
Molecular Weight 721.9176
Optical Activity UNSPECIFIED
Defined Stereocenters 21 / 21
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.2-SOLANINE

SMILES

C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@H]13)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O

InChI

InChIKey=OCVQAFQRXHOFMV-IEGURRFDSA-N
InChI=1S/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3/t18-,19+,21-,22+,23-,24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38-,39-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.2-SOLANINE
Common Name English
.BETA.-SOLANINE
Preferred Name English
BETA-SOLANINE
Common Name English
Code System Code Type Description
FDA UNII
F8ECC8526A
Created by admin on Mon Mar 31 22:24:48 GMT 2025 , Edited by admin on Mon Mar 31 22:24:48 GMT 2025
PRIMARY
CAS
61877-94-9
Created by admin on Mon Mar 31 22:24:48 GMT 2025 , Edited by admin on Mon Mar 31 22:24:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID90977434
Created by admin on Mon Mar 31 22:24:48 GMT 2025 , Edited by admin on Mon Mar 31 22:24:48 GMT 2025
PRIMARY
PUBCHEM
45479590
Created by admin on Mon Mar 31 22:24:48 GMT 2025 , Edited by admin on Mon Mar 31 22:24:48 GMT 2025
PRIMARY