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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H50O12
Molecular Weight 722.8178
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ZARAGOZIC ACID E

SMILES

C[C@H](CCCC1=CC=CC=C1)\C=C\CCC(=O)O[C@@H]2[C@@H](O)[C@]4(CC\C=C\[C@H](C)CCCC3=CC=CC=C3)O[C@@]2(C(O)=O)[C@@](O)([C@H](O4)C(O)=O)C(O)=O

InChI

InChIKey=HPNWHOBVFZEFCZ-IMGBLTPTSA-N
InChI=1S/C40H50O12/c1-27(17-13-23-29-19-5-3-6-20-29)15-9-10-25-31(41)50-33-32(42)38(26-12-11-16-28(2)18-14-24-30-21-7-4-8-22-30)51-34(35(43)44)39(49,36(45)46)40(33,52-38)37(47)48/h3-9,11,15-16,19-22,27-28,32-34,42,49H,10,12-14,17-18,23-26H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)/b15-9+,16-11+/t27-,28-,32+,33+,34+,38-,39+,40-/m0/s1

HIDE SMILES / InChI

Molecular Formula C40H50O12
Molecular Weight 722.8178
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:41:09 GMT 2023
Edited
by admin
on Fri Dec 15 20:41:09 GMT 2023
Record UNII
BTV2R9I8D4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZARAGOZIC ACID E
Common Name English
L-GLYCERO-D-ALTRO-TRIDEC-10-EN-7-ULO-7,4-FURANOSONIC ACID, 2,7-ANHYDRO-3,4-DI-C-CARBOXY-8,9,10,11,12,13-HEXADEOXY-12-(3-PHENYLPROPYL)-, 5-((4E)-6-METHYL-9-PHENYL-4-NONENOATE), (7S,10E,12.XI.)-
Systematic Name English
Code System Code Type Description
CAS
151990-70-4
Created by admin on Fri Dec 15 20:41:09 GMT 2023 , Edited by admin on Fri Dec 15 20:41:09 GMT 2023
PRIMARY
FDA UNII
BTV2R9I8D4
Created by admin on Fri Dec 15 20:41:09 GMT 2023 , Edited by admin on Fri Dec 15 20:41:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID70109860
Created by admin on Fri Dec 15 20:41:09 GMT 2023 , Edited by admin on Fri Dec 15 20:41:09 GMT 2023
PRIMARY
PUBCHEM
90479444
Created by admin on Fri Dec 15 20:41:09 GMT 2023 , Edited by admin on Fri Dec 15 20:41:09 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY