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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20O5
Molecular Weight 328.3591
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DELTOIN

SMILES

C\C=C(/C)C(=O)OC(C)(C)[C@@H]1CC2=CC3=C(OC(=O)C=C3)C=C2O1

InChI

InChIKey=HHNCJFKRMZDTHW-WQRDJFRPSA-N
InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)16-9-13-8-12-6-7-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3/b11-5+/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H20O5
Molecular Weight 328.3591
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:36:17 GMT 2023
Edited
by admin
on Sat Dec 16 10:36:17 GMT 2023
Record UNII
H7ID2E493F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELTOIN
Common Name English
SPRENGELIANINE, (-)-
Common Name English
(-)-DELTOIN
Common Name English
2-BUTENOIC ACID, 2-METHYL-, 1-((2S)-2,3-DIHYDRO-7-OXO-7H-FURO(3,2-G)(1)BENZOPYRAN-2-YL)-1-METHYLETHYL ESTER, (2E)-
Systematic Name English
MARMESIN TIGLATE
Common Name English
(-)-SPRENGELIANIN
Common Name English
2-BUTENOIC ACID, 2-METHYL-, 1-(2,3-DIHYDRO-7-OXO-7H-FURO(3,2-G)(1)BENZOPYRAN-2-YL)-1-METHYLETHYL ESTER, (S-(E))-
Systematic Name English
Code System Code Type Description
FDA UNII
H7ID2E493F
Created by admin on Sat Dec 16 10:36:17 GMT 2023 , Edited by admin on Sat Dec 16 10:36:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID101318302
Created by admin on Sat Dec 16 10:36:17 GMT 2023 , Edited by admin on Sat Dec 16 10:36:17 GMT 2023
PRIMARY
CAS
19662-71-6
Created by admin on Sat Dec 16 10:36:17 GMT 2023 , Edited by admin on Sat Dec 16 10:36:17 GMT 2023
PRIMARY
CAS
24720-11-4
Created by admin on Sat Dec 16 10:36:17 GMT 2023 , Edited by admin on Sat Dec 16 10:36:17 GMT 2023
SUPERSEDED
PUBCHEM
906525
Created by admin on Sat Dec 16 10:36:17 GMT 2023 , Edited by admin on Sat Dec 16 10:36:17 GMT 2023
PRIMARY
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