Acetic acid((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)sulfinyl)-,methyl ester,(11-beta)-

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CAS
114967-90-7
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Purity
96%
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Catalog Number

ACM114967907

Product Name

Acetic acid((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)sulfinyl)-,methyl ester,(11-beta)-

Structure

CAS

114967-90-7

Category

Heterocyclic Organic Compound

Synonyms

BRN 3575341, LS-11777, Methyl (11-beta)-((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)sulfinyl)acetate, Acetic acid, ((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)sulfinyl)-, methyl ester, (11-beta)-, 114967-90-7

IUPAC Name

methyl 2-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfinylacetate

Molecular Weight

466.587560

Molecular Formula

C₂₄H₃₄O₇S

Canonical SMILES

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CS(=O)CC(=O)OC)O)C)O

InChI Key

WJKDLBXZAGCOBZ-ZENVKDMHSA-N

Boiling Point

689.2ºC at 760mmHg

Flash Point

370.6ºC