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Details

Stereochemistry UNKNOWN
Molecular Formula C36H50O14
Molecular Weight 706.7738
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ZARAGOZIC ACID D2

SMILES

CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]3(CCCC(OC(C)=O)C(C)C\C=C\C2=CC=CC=C2)O[C@@]1(C(O)=O)[C@@](O)([C@H](O3)C(O)=O)C(O)=O

InChI

InChIKey=WDLYATMIWWDJQY-FYSMYQDTSA-N
InChI=1S/C36H50O14/c1-4-5-6-7-8-9-13-21-27(38)48-29-28(39)34(49-30(31(40)41)35(46,32(42)43)36(29,50-34)33(44)45)22-15-20-26(47-24(3)37)23(2)16-14-19-25-17-11-10-12-18-25/h10-12,14,17-19,23,26,28-30,39,46H,4-9,13,15-16,20-22H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)/b19-14+/t23?,26?,28-,29-,30-,34+,35-,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H50O14
Molecular Weight 706.7738
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 6 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:15:43 GMT 2023
Edited
by admin
on Fri Dec 15 19:15:43 GMT 2023
Record UNII
W832OVP6BY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZARAGOZIC ACID D2
Common Name English
L-GLYCERO-D-ALTRO-PENTADEC-14-EN-7-ULO-7,4-FURANOSONIC ACID, 2,7-ANHYDRO-3,4-DI-C-CARBOXY-8,9,10,12,13,14,15-HEPTADEOXY-12-METHYL-15-PHENYL-, 11-ACETATE 5-DECANOATE, (7S,11.XI.,12.XI.,14E)-
Systematic Name English
Code System Code Type Description
FDA UNII
W832OVP6BY
Created by admin on Fri Dec 15 19:15:43 GMT 2023 , Edited by admin on Fri Dec 15 19:15:43 GMT 2023
PRIMARY
CAS
155179-15-0
Created by admin on Fri Dec 15 19:15:43 GMT 2023 , Edited by admin on Fri Dec 15 19:15:43 GMT 2023
PRIMARY
PUBCHEM
23376020
Created by admin on Fri Dec 15 19:15:43 GMT 2023 , Edited by admin on Fri Dec 15 19:15:43 GMT 2023
PRIMARY