12b-Deoxycholic Acid Methyl Ester 3a-Benzoate
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- structure.search.product.name 12b-Deoxycholic Acid Methyl Ester 3a-Benzoate
- Product Code: TRC-D232663
- Brand: TRC
Product Overview
Product Code
TRC-D232663
Product Format
Neat
Molecular Formula
C32H46O5
Molecular Weight
510.7
Product Categories
Documentation
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Product Information
Chemical Data
Analyte Name
12beta-Deoxycholic Acid Methyl Ester 3alpha-Benzoate
Molecular Formula
C32H46O5
Molecular Weight
510.7
Accurate Mass
510.33
SMILES
O=C(O[C@@H]1CC[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4(C)[C@@H]([C@@H](CCC(OC)=O)C)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C1)C5=CC=CC=C5
InChI
InChI=1S/C32H46O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(37-30(35)21-8-6-5-7-9-21)16-17-31(22,2)27(24)19-28(33)32(25,26)3/h5-9,20,22-28,33H,10-19H2,1-4H3/t20-,22-,23-,24+,25-,26+,27+,28-,31+,32-/m1/s1
IUPAC
(3R,5R,8R,9S,10S,12R,13R,14S,17R)-12-hydroxy-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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