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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H48O5
Molecular Weight 488.6991
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACACIC ACID

SMILES

[H][C@@]12CC(C)(C)[C@@H](O)C[C@@]1([C@H](O)C[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)C(O)=O

InChI

InChIKey=CFKXWTNHIJAFNL-OOURDANISA-N
InChI=1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19-,20+,21-,22-,23+,27-,28+,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H48O5
Molecular Weight 488.6991
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:39:28 GMT 2023
Edited
by admin
on Sat Dec 16 08:39:28 GMT 2023
Record UNII
Q40GL8U88D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACACIC ACID
MI  
Common Name English
ISOLATED FROM PODS OF ACACIA CONCINNA
Common Name English
ACACIC ACID [MI]
Common Name English
OLEAN-12-EN-28-OIC ACID, 3,16,21-TRIHYDROXY-, (3.BETA.,16.ALPHA.,21.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
Q40GL8U88D
Created by admin on Sat Dec 16 08:39:28 GMT 2023 , Edited by admin on Sat Dec 16 08:39:28 GMT 2023
PRIMARY
CAS
1962-14-7
Created by admin on Sat Dec 16 08:39:28 GMT 2023 , Edited by admin on Sat Dec 16 08:39:28 GMT 2023
PRIMARY
MERCK INDEX
m1286
Created by admin on Sat Dec 16 08:39:28 GMT 2023 , Edited by admin on Sat Dec 16 08:39:28 GMT 2023
PRIMARY Merck Index
PUBCHEM
12305894
Created by admin on Sat Dec 16 08:39:28 GMT 2023 , Edited by admin on Sat Dec 16 08:39:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID20941385
Created by admin on Sat Dec 16 08:39:28 GMT 2023 , Edited by admin on Sat Dec 16 08:39:28 GMT 2023
PRIMARY