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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O7
Molecular Weight 382.448
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ACRL TOXIN IV D

SMILES

C\C=C(/C)[C@@H](O)[C@@H](C)\C=C\[C@@H](O)C[C@@H](O)C[C@@H](O)CC1=CC(O)=CC(=O)O1

InChI

InChIKey=NMHPSMFSNBAYRZ-XSLBMVLQSA-N
InChI=1S/C20H30O7/c1-4-12(2)20(26)13(3)5-6-14(21)7-15(22)8-16(23)9-18-10-17(24)11-19(25)27-18/h4-6,10-11,13-16,20-24,26H,7-9H2,1-3H3/b6-5+,12-4+/t13-,14+,15+,16+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H30O7
Molecular Weight 382.448
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 23:17:29 GMT 2025
Edited
by admin
on Tue Apr 01 23:17:29 GMT 2025
Record UNII
N8M17W5D8B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-PYRAN-2-ONE, 4-HYDROXY-6-(2,4,6,10-TETRAHYDROXY-9,11-DIMETHYL-7,11-TRIDECADIENYL)-, (2R-(2R*,4S*,6S*,7E,9S*,10S*,11E))-
Preferred Name English
ACRL TOXIN IV D
Common Name English
Code System Code Type Description
PUBCHEM
54724814
Created by admin on Tue Apr 01 23:17:29 GMT 2025 , Edited by admin on Tue Apr 01 23:17:29 GMT 2025
PRIMARY
FDA UNII
N8M17W5D8B
Created by admin on Tue Apr 01 23:17:29 GMT 2025 , Edited by admin on Tue Apr 01 23:17:29 GMT 2025
PRIMARY
CAS
101951-99-9
Created by admin on Tue Apr 01 23:17:29 GMT 2025 , Edited by admin on Tue Apr 01 23:17:29 GMT 2025
PRIMARY