Polyphyllin I
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- structure.search.product.name Polyphyllin I
- Product Code: TRC-P689455
- CAS Number: 50773-41-6
- Brand: TRC
Product Overview
Product Code
TRC-P689455
CAS Number
Product Format
Neat
Molecular Formula
C27 H29 F3 O6 S
Molecular Weight
538.576
Product Categories
Product Type
Bioactive Small MoleculeDocumentation
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Product Information
Chemical Data
Analyte Name
Polyphyllin I
CAS Number
50773-41-6
Molecular Formula
C27 H29 F3 O6 S
Molecular Weight
538.576
Accurate Mass
538.164
SMILES
C[C@H]1C[C@@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c5occc5)C(=O)SCF
InChI
InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17-,19+,21-,24-,25-,26+,27-/m0/s1
IUPAC
[(6R,8S,9S,10S,11S,13S,14R,16S,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat