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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H93NO9
Molecular Weight 828.2533
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PHRENOSIN

SMILES

CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC

InChI

InChIKey=ZXWQZGROTQMXME-DRXHHKTBSA-N
InChI=1S/C48H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,40-46,48,50-55H,3-33,35,37-39H2,1-2H3,(H,49,56)/b36-34+/t40-,41+,42+,43+,44-,45-,46+,48+/m0/s1

HIDE SMILES / InChI

Molecular Formula C48H93NO9
Molecular Weight 828.2533
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:59:45 GMT 2023
Edited
by admin
on Sat Dec 16 10:59:45 GMT 2023
Record UNII
XRV46R3BSQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHRENOSIN
MI  
Common Name English
PHRENOSINE (OX BRAIN)
Common Name English
PHRENOSIN [MI]
Common Name English
TETRACOSANAMIDE, N-((1S,2R,3E)-1-((.BETA.-D-GALACTOPYRANOSYLOXY)METHYL)-2-HYDROXY-3-HEPTADECEN-1-YL)-2-HYDROXY-, (2R)-
Systematic Name English
Code System Code Type Description
MERCK INDEX
m8749
Created by admin on Sat Dec 16 10:59:45 GMT 2023 , Edited by admin on Sat Dec 16 10:59:45 GMT 2023
PRIMARY Merck Index
CAS
586-02-7
Created by admin on Sat Dec 16 10:59:45 GMT 2023 , Edited by admin on Sat Dec 16 10:59:45 GMT 2023
PRIMARY
PUBCHEM
71768128
Created by admin on Sat Dec 16 10:59:45 GMT 2023 , Edited by admin on Sat Dec 16 10:59:45 GMT 2023
PRIMARY
FDA UNII
XRV46R3BSQ
Created by admin on Sat Dec 16 10:59:45 GMT 2023 , Edited by admin on Sat Dec 16 10:59:45 GMT 2023
PRIMARY