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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H46O7
Molecular Weight 518.682
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JALIGONIC ACID

SMILES

C[C@@]1(CO)[C@@H](O)[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@H]5C[C@](C)(CC[C@@]5(CC[C@@]34C)C(O)=O)C(O)=O

InChI

InChIKey=OWODMVTTWPVWQA-COFJZONBSA-N
InChI=1S/C30H46O7/c1-25(23(34)35)10-12-30(24(36)37)13-11-28(4)17(18(30)14-25)6-7-21-26(2)15-19(32)22(33)27(3,16-31)20(26)8-9-29(21,28)5/h6,18-22,31-33H,7-16H2,1-5H3,(H,34,35)(H,36,37)/t18-,19-,20+,21+,22-,25-,26-,27-,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
JALIGONIC ACID
Common Name English
NSC-249338
Preferred Name English
Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-, (2?,3?,4?,20?)-
Systematic Name English
(2?,3?,4?,20?)-2,3,23-Trihydroxyolean-12-ene-28,29-dioic acid
Systematic Name English
Code System Code Type Description
CAS
51776-39-7
Created by admin on Wed Apr 02 12:47:25 GMT 2025 , Edited by admin on Wed Apr 02 12:47:25 GMT 2025
PRIMARY
PUBCHEM
99610
Created by admin on Wed Apr 02 12:47:25 GMT 2025 , Edited by admin on Wed Apr 02 12:47:25 GMT 2025
PRIMARY
FDA UNII
52356C7BGV
Created by admin on Wed Apr 02 12:47:25 GMT 2025 , Edited by admin on Wed Apr 02 12:47:25 GMT 2025
PRIMARY
NSC
249338
Created by admin on Wed Apr 02 12:47:25 GMT 2025 , Edited by admin on Wed Apr 02 12:47:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID40966090
Created by admin on Wed Apr 02 12:47:25 GMT 2025 , Edited by admin on Wed Apr 02 12:47:25 GMT 2025
PRIMARY