U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

[H][C@@]12C[C@](C)(CC[C@@]1(CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@]5([H])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
Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-, (2β,3β,4α,20β)-
Systematic Name English
(2β,3β,4α,20β)-2,3,23-Trihydroxyolean-12-ene-28,29-dioic acid
Systematic Name English
NSC-249338
Code English
Code System Code Type Description
CAS
51776-39-7
Created by admin on Sat Dec 16 18:55:25 GMT 2023 , Edited by admin on Sat Dec 16 18:55:25 GMT 2023
PRIMARY
PUBCHEM
99610
Created by admin on Sat Dec 16 18:55:25 GMT 2023 , Edited by admin on Sat Dec 16 18:55:25 GMT 2023
PRIMARY
FDA UNII
52356C7BGV
Created by admin on Sat Dec 16 18:55:25 GMT 2023 , Edited by admin on Sat Dec 16 18:55:25 GMT 2023
PRIMARY
NSC
249338
Created by admin on Sat Dec 16 18:55:25 GMT 2023 , Edited by admin on Sat Dec 16 18:55:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID40966090
Created by admin on Sat Dec 16 18:55:25 GMT 2023 , Edited by admin on Sat Dec 16 18:55:25 GMT 2023
PRIMARY