1.ALPHA.,5-EPIDITHIO-13-HYDROXY-3-OXO-13,17-SECO-5.ALPHA.-ANDROSTAN-17-OIC ACID .DELTA.-LACTONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H26O3S2
Molecular Weight	366.538
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1.ALPHA.,5-EPIDITHIO-13-HYDROXY-3-OXO-13,17-SECO-5.ALPHA.-ANDROSTAN-17-OIC ACID .DELTA.-LACTONE

Structure Search

SMILES

C[C@]12[C@@H]3CC(=O)C[C@@]1(CC[C@@H]4[C@@H]2CC[C@]5(C)OC(=O)CC[C@@H]45)SS3

InChI

InChIKey=ROCVZARQFKQHCD-FQRJZAEESA-N

InChI=1S/C19H26O3S2/c1-17-7-6-14-12(13(17)3-4-16(21)22-17)5-8-19-10-11(20)9-15(23-24-19)18(14,19)2/h12-15H,3-10H2,1-2H3/t12-,13-,14-,15-,17-,18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H26O3S2
Molecular Weight	366.538
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:59:42 GMT 2025` Edited by `admin` on `Mon Mar 31 17:59:42 GMT 2025`
Record UNII	MRR4186RWA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1.ALPHA.,5-EPIDITHIO-13-HYDROXY-3-OXO-13,17-SECO-5.ALPHA.-ANDROSTAN-17-OIC ACID .DELTA.-LACTONE

Common Name

English

NSC-56955

Preferred Name

English

13,17-SECO-5.ALPHA.-ANDROSTAN-17-OIC ACID, 1.ALPHA.,5-EPIDITHIO-13-HYDROXY-3-OXO-, .DELTA.-LACTONE

Systematic Name

English

17.ALPHA.-OXA-D-HOMOANDROSTAN-3,17-DIONE, 1.ALPHA.,5.ALPHA.-EPIDITHIO-

Systematic Name

English

Code System Code Type Description

FDA UNII

MRR4186RWA

Created by admin on Mon Mar 31 17:59:42 GMT 2025 , Edited by admin on Mon Mar 31 17:59:42 GMT 2025

PRIMARY

NSC

56955

Created by admin on Mon Mar 31 17:59:42 GMT 2025 , Edited by admin on Mon Mar 31 17:59:42 GMT 2025

PRIMARY

CAS

6947-44-0

Created by admin on Mon Mar 31 17:59:42 GMT 2025 , Edited by admin on Mon Mar 31 17:59:42 GMT 2025

PRIMARY

PUBCHEM

11954165

Created by admin on Mon Mar 31 17:59:42 GMT 2025 , Edited by admin on Mon Mar 31 17:59:42 GMT 2025

PRIMARY