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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H63NO10
Molecular Weight 705.9182
Optical Activity UNSPECIFIED
Defined Stereocenters 21 / 21
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-CHACONINE

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[C@]8([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O

InChI

InChIKey=ZLSYCIYRYZUJCZ-MTXMLOAPSA-N
InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1

HIDE SMILES / InChI

Molecular Formula C39H63NO10
Molecular Weight 705.9182
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 20 / 21
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:17:06 GMT 2023
Edited
by admin
on Fri Dec 15 16:17:06 GMT 2023
Record UNII
KC739QQ6OP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-CHACONINE
Common Name English
SOLANIDINE 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->2)-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
.BETA.1-CHACONINE
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.)-SOLANID-5-EN-3-YL 2-O-(6-DEOXY-.BETA.-L-MANNOPYRANOSYL)-
Common Name English
Code System Code Type Description
CAS
472-51-5
Created by admin on Fri Dec 15 16:17:06 GMT 2023 , Edited by admin on Fri Dec 15 16:17:06 GMT 2023
PRIMARY
FDA UNII
KC739QQ6OP
Created by admin on Fri Dec 15 16:17:06 GMT 2023 , Edited by admin on Fri Dec 15 16:17:06 GMT 2023
PRIMARY
PUBCHEM
119393
Created by admin on Fri Dec 15 16:17:06 GMT 2023 , Edited by admin on Fri Dec 15 16:17:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID40963766
Created by admin on Fri Dec 15 16:17:06 GMT 2023 , Edited by admin on Fri Dec 15 16:17:06 GMT 2023
PRIMARY