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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O13
Molecular Weight 476.4293
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRIMULAVERIN

SMILES

COc1ccc(c(c1)C(=O)OC)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(CO[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])(CO3)O)O)O)O2)O)O)O

InChI

InChIKey=CDWVFJJMYKSVHM-HSMQXHTESA-N
InChI=1S/C20H28O13/c1-28-8-3-4-11(9(5-8)18(27)29-2)32-20-17(26)15(24)14(23)12(33-20)7-31-19-16(25)13(22)10(21)6-30-19/h3-5,10,12-17,19-26H,6-7H2,1-2H3/t10-,12-,13+,14-,15+,16-,17-,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H28O13
Molecular Weight 476.4293
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 Sat Jun 26 15:08:07 UTC 2021
Edited
by admin
on Sat Jun 26 15:08:07 UTC 2021
Record UNII
0B99IC5K2E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRIMULAVERIN
MI  
Common Name English
PRIMULAVERIN [MI]
Common Name English
PRIMULAVEROSIDE
Common Name English
BENZOIC ACID, 5-METHOXY-2-((6-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, METHYL ESTER
Systematic Name English
2-HYDROXY-5-METHOXY-METHYL BENZOATE-2-PRIMEVEROSIDE
Common Name English
Code System Code Type Description
MERCK INDEX
M9137
Created by admin on Sat Jun 26 15:08:07 UTC 2021 , Edited by admin on Sat Jun 26 15:08:07 UTC 2021
PRIMARY Merck Index
PUBCHEM
3083558
Created by admin on Sat Jun 26 15:08:07 UTC 2021 , Edited by admin on Sat Jun 26 15:08:07 UTC 2021
PRIMARY
CAS
154-61-0
Created by admin on Sat Jun 26 15:08:07 UTC 2021 , Edited by admin on Sat Jun 26 15:08:07 UTC 2021
PRIMARY
FDA UNII
0B99IC5K2E
Created by admin on Sat Jun 26 15:08:07 UTC 2021 , Edited by admin on Sat Jun 26 15:08:07 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT