Structure

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

CAS
114967-90-7
Catalog Number
ACM114967907
Category
Other Products
Molecular Weight
466.587560
Molecular Formula
C24H34O7S

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Specification

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
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
Density
1.35g/cm³
Exact Mass
466.20300
H-Bond Acceptor
7
H-Bond Donor
2

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