DEACETYLSPIRONOLACTONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H30O3S
Molecular Weight	374.537
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCC(=O)O4)[C@H](S)CC5=CC(=O)CC[C@]35C

InChI

InChIKey=NZCDWYJROUPYPT-NYTLBARGSA-N

InChI=1S/C22H30O3S/c1-20-7-3-14(23)11-13(20)12-17(26)19-15(20)4-8-21(2)16(19)5-9-22(21)10-6-18(24)25-22/h11,15-17,19,26H,3-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-,22+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

SC-24813

Preferred Name

English

DEACETYLSPIRONOLACTONE

Common Name

English

SPIRONOLACTONE METABOLITE M3

Common Name

English

MERCAPTOSPIRONOLACTONE

Common Name

English

(7R,8R,9S,10R,13S,14S,17R)-10,13-DIMETHYL-7-SULFANYL-SPIRO(2,6,7,8,9,11,12,14,15,16-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHRENE-17,5'-TETRAHYDROFURAN)-2',3-DIONE

Systematic Name

English

7.ALPHA.-THIOSPIRONOLACTONE

Common Name

English

7.ALPHA.-THIOSPIROLACTONE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20959566