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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32O5
Molecular Weight 376.4865
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AJUGARIN-V

SMILES

[H][C@]12CCC[C@]3(CO3)[C@]1(C)[C@H](C[C@@H](C)[C@]2(C)CCC4=CC(=O)OC4)OC(C)=O

InChI

InChIKey=NQYDGORVAIQDBB-FYHNCAPNSA-N
InChI=1S/C22H32O5/c1-14-10-18(27-15(2)23)21(4)17(6-5-8-22(21)13-26-22)20(14,3)9-7-16-11-19(24)25-12-16/h11,14,17-18H,5-10,12-13H2,1-4H3/t14-,17-,18+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H32O5
Molecular Weight 376.4865
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:29:52 GMT 2023
Edited
by admin
on Sat Dec 16 08:29:52 GMT 2023
Record UNII
5UJ9EW4S52
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AJUGARIN-V
MI  
Common Name English
AJUGARIN-V [MI]
Common Name English
2(5H)-FURANONE, 4-(2-((1R,4AR,5S,6R,8S,8AS)-8-(ACETYLOXY)OCTAHYDRO-5,6,8A-TRIMETHYLSPIRO(NAPHTHALENE-1(2H),2'-OXIRAN)-5-YL)ETHYL)-
Systematic Name English
Code System Code Type Description
CAS
82231-14-9
Created by admin on Sat Dec 16 08:29:52 GMT 2023 , Edited by admin on Sat Dec 16 08:29:52 GMT 2023
PRIMARY
FDA UNII
5UJ9EW4S52
Created by admin on Sat Dec 16 08:29:52 GMT 2023 , Edited by admin on Sat Dec 16 08:29:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID401002574
Created by admin on Sat Dec 16 08:29:52 GMT 2023 , Edited by admin on Sat Dec 16 08:29:52 GMT 2023
PRIMARY
MERCK INDEX
m1460
Created by admin on Sat Dec 16 08:29:52 GMT 2023 , Edited by admin on Sat Dec 16 08:29:52 GMT 2023
PRIMARY Merck Index
PUBCHEM
157867
Created by admin on Sat Dec 16 08:29:52 GMT 2023 , Edited by admin on Sat Dec 16 08:29:52 GMT 2023
PRIMARY