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

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H60O10
Molecular Weight 796.984
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of MYRICERIC ACID C

SMILES

CC1(C)CC[C@@]2(CC[C@]4(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)\C=C\C7=CC(O)=C(O)C=C7)C(C)(C)[C@@H]6CC[C@@]45C)[C@@H]2C1)C(O)=O

InChI

InChIKey=OQOHHYHCCUJBHE-HQEPTUIISA-N
InChI=1S/C48H60O10/c1-43(2)21-22-47(42(55)56)23-24-48(28-57-40(53)15-9-29-7-12-33(49)35(51)25-29)31(32(47)27-43)11-14-38-45(5)19-18-39(44(3,4)37(45)17-20-46(38,48)6)58-41(54)16-10-30-8-13-34(50)36(52)26-30/h7-13,15-16,25-26,32,37-39,49-52H,14,17-24,27-28H2,1-6H3,(H,55,56)/b15-9+,16-10+/t32-,37-,38+,39-,45-,46+,47-,48-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MYRICERIC ACID C
Common Name English
OLEAN-12-EN-28-OIC ACID, 3,27-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (3.BETA.)-
Preferred Name English
OLEAN-12-EN-28-OIC ACID, 3,27-BIS((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-, (3.BETA.(E),27(E))-
Common Name English
Code System Code Type Description
CAS
162059-94-1
Created by admin on Mon Mar 31 20:04:41 GMT 2025 , Edited by admin on Mon Mar 31 20:04:41 GMT 2025
PRIMARY
FDA UNII
WUX1YPQ76E
Created by admin on Mon Mar 31 20:04:41 GMT 2025 , Edited by admin on Mon Mar 31 20:04:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID60167305
Created by admin on Mon Mar 31 20:04:41 GMT 2025 , Edited by admin on Mon Mar 31 20:04:41 GMT 2025
PRIMARY
PUBCHEM
15767725
Created by admin on Mon Mar 31 20:04:41 GMT 2025 , Edited by admin on Mon Mar 31 20:04:41 GMT 2025
PRIMARY