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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34O6
Molecular Weight 430.5339
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TANGHINIGENIN ACETATE

SMILES

[H][C@]12C[C@@H]3O[C@]34[C@]([H])(CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)[C@@]1(C)CC[C@@H](C2)OC(C)=O

InChI

InChIKey=IKIOUWIUYNOLSV-FKFPRKCISA-N
InChI=1S/C25H34O6/c1-14(26)30-17-4-7-22(2)16(11-17)12-20-25(31-20)19(22)6-8-23(3)18(5-9-24(23,25)28)15-10-21(27)29-13-15/h10,16-20,28H,4-9,11-13H2,1-3H3/t16-,17-,18+,19+,20-,22-,23+,24+,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H34O6
Molecular Weight 430.5339
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 10:00:53 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:53 GMT 2023
Record UNII
WJV4U1O78C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TANGHINIGENIN ACETATE
MI  
Common Name English
TANGHINIGENIN ACETATE [MI]
Common Name English
CARD-20(22)-ENOLIDE, 3-(ACETYLOXY)-7,8-EPOXY-14-HYDROXY-, (3.BETA.,5.BETA.,7.BETA.)-
Systematic Name English
TANGHINIGENIN, 3-ACETATE
Common Name English
ACETYLTANGHINIGENIN
Common Name English
Code System Code Type Description
MERCK INDEX
m490
Created by admin on Sat Dec 16 10:00:53 GMT 2023 , Edited by admin on Sat Dec 16 10:00:53 GMT 2023
PRIMARY Merck Index
FDA UNII
WJV4U1O78C
Created by admin on Sat Dec 16 10:00:53 GMT 2023 , Edited by admin on Sat Dec 16 10:00:53 GMT 2023
PRIMARY
PUBCHEM
91617977
Created by admin on Sat Dec 16 10:00:53 GMT 2023 , Edited by admin on Sat Dec 16 10:00:53 GMT 2023
PRIMARY
CAS
4642-56-2
Created by admin on Sat Dec 16 10:00:53 GMT 2023 , Edited by admin on Sat Dec 16 10:00:53 GMT 2023
PRIMARY