Equilin 3-Sulfate Sodium Salt (Stabilized with TRIS, 50% w/w)
Product Code
TRC-E592825
CAS Number
Product Format
Neat
Molecular Formula
C18 H19 O5 S . Na
Molecular Weight
370.40
API Family
EquilinProduct Type
MetaboliteAlternate CAS Number
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
Equilin sodium sulfate
CAS Number
16680-47-0
Molecular Formula
C18 H19 O5 S . Na
Molecular Weight
370.40
Accurate Mass
370.0851
SMILES
[Na+].C[C@]12CC[C@H]3C(=CCc4cc(OS(=O)(=O)[O-])ccc34)[C@@H]1CCC2=O
InChI
InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1
IUPAC
sodium;[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
Alternate CAS Number
Free acid: 27540-07-4
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Blue Ice
Country of Origin
CANADA
Product Attributes
Product Type
Metabolite
Product Format
Neat
API Family
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