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Home > Product > Heterocyclic Organic Compounds > 11-Alpha,17-alpha,21-trihydroxy-16-alpha-methyl-5-alpha-pregnane-3,20-dione 21-acetate-11-(toluene-4-sulfonate)

11-Alpha,17-alpha,21-trihydroxy-16-alpha-methyl-5-alpha-pregnane-3,20-dione 21-acetate-11-(toluene-4-sulfonate) | CAS Number: 7645-58-1

Catalog Number
ACM7645581
Product Name
11-Alpha,17-alpha,21-trihydroxy-16-alpha-methyl-5-alpha-pregnane-3,20-dione 21-acetate-11-(toluene-4-sulfonate)
Structure
CAS Number
7645-58-1
EC Number
231-585-2
IUPAC Name
[2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Synonyms
EINECS 231-585-2, CID111319, 11-alpha,17-alpha,21-Trihydroxy-16-alpha-methyl-5-alpha-pregnane-3,20-dione 21-acetate-11-(toluene-4-sulphonate), 7645-58-1
Molecular Weight
574.72538
Exact Mass
574.26000
Molecular Formula
C31H42O8S
Purity
96%
SMILES
CC1CC2C3CCC4CC(=O)CCC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)OS(=O)(=O)C5=CC=C(C=C5)C)C
InChIKey
BAOPJFFGWAXPHH-ROZYOPKOSA-N
H-Bond Donor
1
H-Bond Acceptor
8
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