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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H48O4
Molecular Weight 472.6997
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUMARESINOLIC ACID

SMILES

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

InChI

InChIKey=KLHSKTMVSOWVLD-WPDRYGPBSA-N
InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27+,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H48O4
Molecular Weight 472.6997
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:33:00 GMT 2023
Edited
by admin
on Fri Dec 15 20:33:00 GMT 2023
Record UNII
ZLX0T88D9C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUMARESINOLIC ACID
Common Name English
OLEAN-12-EN-28-OIC ACID, 3,6-DIHYDROXY-, (3.BETA.,6.BETA.)-
Common Name English
OLEAN-12-EN-28-OIC ACID, 3.BETA.,6.BETA.-DIHYDROXY-
Common Name English
3.BETA.,6.BETA.-DIHYDROXYOLEAN-12-EN-28-OIC ACID
Common Name English
Code System Code Type Description
FDA UNII
ZLX0T88D9C
Created by admin on Fri Dec 15 20:33:00 GMT 2023 , Edited by admin on Fri Dec 15 20:33:00 GMT 2023
PRIMARY
CAS
559-64-8
Created by admin on Fri Dec 15 20:33:00 GMT 2023 , Edited by admin on Fri Dec 15 20:33:00 GMT 2023
PRIMARY
PUBCHEM
12443148
Created by admin on Fri Dec 15 20:33:00 GMT 2023 , Edited by admin on Fri Dec 15 20:33:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID10204491
Created by admin on Fri Dec 15 20:33:00 GMT 2023 , Edited by admin on Fri Dec 15 20:33:00 GMT 2023
PRIMARY