Products for Research Use Only

Spironolactone EP Impurity G

CAT: 1299-RM-S160907-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-S160907-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
880106-10-5
Synonyms
S- ((2'R,6S,7S,8R,9S,10R,13S,14S) -6-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate
Molecular Formula
C24H32O5S
Molecular Weight
432.57
Target Alternative Name
Spironolactone
Product Name Synonym
S- ((2'R,6S,7S,8R,9S,10R,13S,14S) -6-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate

Chemical Information

6beta-Hydroxy-spironolactone
CAS Number880106-10-5
PubChem CID131886535
IUPAC NameS-[(6S,7S,8R,9S,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate
Molecular FormulaC24H32O5S
Molecular Weight432.6
XLogP1.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity851
SMILES
CC(=O)S[C@H]1[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]34CCC(=O)O4)C)[C@]5(CCC(=O)C=C5[C@@H]1O)C
InChI
InChI=1S/C24H32O5S/c1-13(25)30-21-19-15(22(2)8-4-14(26)12-17(22)20(21)28)5-9-23(3)16(19)6-10-24(23)11-7-18(27)29-24/h12,15-16,19-21,28H,4-11H2,1-3H3/t15-,16-,19+,20-,21-,22+,23-,24+/m0/s1
InChIKey
CMDJXLWZYONFCD-YGIRGZTLSA-N
Chemical Structure
2D Structure
2D structure of 6beta-Hydroxy-spironolactone
CAS: 880106-10-5
CID: 131886535
Formula: C24H32O5S
MW: 432.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight432.6
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass432.19704529
Monoisotopic Mass432.19704529
Topological Polar Surface Area106 Ų
Heavy Atom Count30
Formal Charge0
Complexity851
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes