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

[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])[C@H](S)CC5=CC(=O)CC[C@]45C

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

Molecular Formula	C22H30O3S
Molecular Weight	374.537
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:29:39 GMT 2023` Edited by `admin` on `Sat Dec 16 09:29:39 GMT 2023`
Record UNII	4LH70U7H4Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEACETYLSPIRONOLACTONE

Common Name

English

SC-24813

Code

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