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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H45NO2
Molecular Weight 439.6731
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETYLSOLANIDINE

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)OC(C)=O

InChI

InChIKey=ACTKMOYQUXATDV-XAKLIMFGSA-N
InChI=1S/C29H45NO2/c1-17-6-9-25-18(2)27-26(30(25)16-17)15-24-22-8-7-20-14-21(32-19(3)31)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-27H,6,8-16H2,1-5H3/t17-,18+,21-,22+,23-,24-,25+,26-,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H45NO2
Molecular Weight 439.6731
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:36:17 GMT 2023
Edited
by admin
on Sat Dec 16 09:36:17 GMT 2023
Record UNII
322B1RE5PI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETYLSOLANIDINE
MI  
Common Name English
SOLANID-5-EN-3-OL, ACETATE (ESTER), (3.BETA.)-
Common Name English
ACETYLSOLANIDINE [MI]
Common Name English
SOLANIDINE, ACETATE (ESTER)
Common Name English
O-ACETYLSOLANIDINE
Common Name English
SOLANIDINE, ACETATE
Common Name English
Code System Code Type Description
FDA UNII
322B1RE5PI
Created by admin on Sat Dec 16 09:36:17 GMT 2023 , Edited by admin on Sat Dec 16 09:36:17 GMT 2023
PRIMARY
CAS
4216-84-6
Created by admin on Sat Dec 16 09:36:17 GMT 2023 , Edited by admin on Sat Dec 16 09:36:17 GMT 2023
PRIMARY
PUBCHEM
72710640
Created by admin on Sat Dec 16 09:36:17 GMT 2023 , Edited by admin on Sat Dec 16 09:36:17 GMT 2023
PRIMARY
MERCK INDEX
m10101
Created by admin on Sat Dec 16 09:36:17 GMT 2023 , Edited by admin on Sat Dec 16 09:36:17 GMT 2023
PRIMARY Merck Index