Treprostinil Acyl-beta-D-Glucuronide
Product Code
TRC-T719505-25MG
CAS Number
Product Format
Neat
Molecular Formula
C29 H42 O11
Molecular Weight
566.637
Product Categories
Product Information
Chemical Data
Analyte Name
Treprostinil Acyl-beta-D-Glucuronide
CAS Number
148916-53-4
Molecular Formula
C29 H42 O11
Molecular Weight
566.637
Accurate Mass
566.273
SMILES
CCCCCC(O)CC[C@H]1[C@H](O)C[C@@H]2Cc3c(C[C@H]12)cccc3OCC(=O)O[C@@H]4OC([C@@H](O)C(O)C4O)C(=O)O
InChI
InChI=1S/C29H42O11/c1-2-3-4-7-17(30)9-10-18-19-11-15-6-5-8-22(20(15)12-16(19)13-21(18)31)38-14-23(32)39-29-26(35)24(33)25(34)27(40-29)28(36)37/h5-6,8,16-19,21,24-27,29-31,33-35H,2-4,7,9-14H2,1H3,(H,36,37)/t16-,17?,18+,19-,21+,24?,25-,26?,27?,29+/m0/s1
IUPAC
(3S,6S)-6-[2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-(3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat