5-Hydroxy-15 ?,16 ?-methylene-3 ?-pivaloyloxy-5 ?-androst-6-en-17-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H36O4
Molecular Weight	400.5509
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Hydroxy-15 ?,16 ?-methylene-3 ?-pivaloyloxy-5 ?-androst-6-en-17-one

Structure Search

SMILES

CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@@H]5C4=O)[C@@H]3C=C[C@]2(O)C1

InChI

InChIKey=FFDPCMQAAUBAQI-BDIDVDKGSA-N

InChI=1S/C25H36O4/c1-22(2,3)21(27)29-14-6-10-24(5)18-8-9-23(4)19(16-12-17(16)20(23)26)15(18)7-11-25(24,28)13-14/h7,11,14-19,28H,6,8-10,12-13H2,1-5H3/t14-,15+,16+,17-,18-,19+,23-,24+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H36O4
Molecular Weight	400.5509
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:45:10 GMT 2025` Edited by `admin` on `Wed Apr 02 19:45:10 GMT 2025`
Record UNII	AGZ4EV3KPE
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(1R,2S,3S,5S,7S,10S,11R,14S,16R)-16-hydroxy-7,11-dimethyl-6-oxopentacyclo[8.8.0.0^{2,7}.0^{3,5}.0^{11,16}]octadec-17-en-14-yl 2,2-dimethylpropanoate

Preferred Name

English

5-Hydroxy-15 ?,16 ?-methylene-3 ?-pivaloyloxy-5 ?-androst-6-en-17-one

Systematic Name

English

(3?,5?,15?,16?)-3-(2,2-Dimethyl-1-oxopropoxy)-15,16-dihydro-5-hydroxy-3?H-cycloprop[15,16]androsta-6,15-dien-17-one

Systematic Name

English

3?H-Cycloprop[15,16]androsta-6,15-dien-17-one, 3-(2,2-dimethyl-1-oxopropoxy)-15,16-dihydro-5-hydroxy-, (3?,5?,15?,16?)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

13075972

Created by admin on Wed Apr 02 19:45:10 GMT 2025 , Edited by admin on Wed Apr 02 19:45:10 GMT 2025

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FDA UNII

AGZ4EV3KPE

Created by admin on Wed Apr 02 19:45:10 GMT 2025 , Edited by admin on Wed Apr 02 19:45:10 GMT 2025

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CAS

82543-14-4

Created by admin on Wed Apr 02 19:45:10 GMT 2025 , Edited by admin on Wed Apr 02 19:45:10 GMT 2025

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EPA CompTox

DTXSID801036464

Created by admin on Wed Apr 02 19:45:10 GMT 2025 , Edited by admin on Wed Apr 02 19:45:10 GMT 2025

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