3?-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29F3O5S
Molecular Weight	462.523
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3?-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate

Structure Search

SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4OS(=O)(=O)C(F)(F)F)[C@@H]3CC=C2C1

InChI

InChIKey=MCIVSCZCJRGEJR-ZKHIMWLXSA-N

InChI=1S/C22H29F3O5S/c1-13(26)29-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(21(17,3)11-9-18(16)20)30-31(27,28)22(23,24)25/h4,7,15-18H,5-6,8-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H29F3O5S
Molecular Weight	462.523
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:30:37 GMT 2025` Edited by `admin` on `Wed Apr 02 17:30:37 GMT 2025`
Record UNII	B4ETH4CAD6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Preferred Name

English

3?-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate

Systematic Name

English

Androsta-5,16-diene-3,17-diol, 3-acetate 17-(trifluoromethanesulfonate), (3?)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00747029

Created by admin on Wed Apr 02 17:30:37 GMT 2025 , Edited by admin on Wed Apr 02 17:30:37 GMT 2025

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FDA UNII

B4ETH4CAD6

Created by admin on Wed Apr 02 17:30:37 GMT 2025 , Edited by admin on Wed Apr 02 17:30:37 GMT 2025

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CAS

115375-60-5

Created by admin on Wed Apr 02 17:30:37 GMT 2025 , Edited by admin on Wed Apr 02 17:30:37 GMT 2025

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PUBCHEM

10457059

Created by admin on Wed Apr 02 17:30:37 GMT 2025 , Edited by admin on Wed Apr 02 17:30:37 GMT 2025

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