Cholesta-4,6-dien-3-one
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Product Overview
Product Code
TRC-C431420
CAS Number
Product Format
Neat
Molecular Formula
C27 H42 O
Molecular Weight
382.62
Product Type
MetaboliteDocumentation
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Product Information
Chemical Data
Analyte Name
Cholesta-4,6-dien-3-one
CAS Number
566-93-8
Molecular Formula
C27 H42 O
Molecular Weight
382.62
Accurate Mass
382.3236
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
IUPAC
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat