3,12-BIS(ACETYLOXY)PREGNAN-20-ONE, (3.ALPHA.,5.BETA.,12.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H38O5
Molecular Weight	418.5662
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,12-BIS(ACETYLOXY)PREGNAN-20-ONE, (3.ALPHA.,5.BETA.,12.ALPHA.)-

Structure Search

SMILES

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)[C@H](C[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)OC(C)=O

InChI

InChIKey=VYZPGMGWYUEREY-LCLDLZHKSA-N

InChI=1S/C25H38O5/c1-14(26)20-8-9-21-19-7-6-17-12-18(29-15(2)27)10-11-24(17,4)22(19)13-23(25(20,21)5)30-16(3)28/h17-23H,6-13H2,1-5H3/t17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H38O5
Molecular Weight	418.5662
Charge	0
Count

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

Description
Sources: https://web.duke.edu/gpcr-assay/Libraries/TimTec-NPL/NPL720_PO4550050798-plt3.pdf

3α,12α-Dihydroxy-5β-pregnan-20-one 3,12-diacetate is a progesterone metabolite derivative.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:09:46 GMT 2023` Edited by `admin` on `Fri Dec 15 15:09:46 GMT 2023`
Record UNII	F6QL0SF7W6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,12-BIS(ACETYLOXY)PREGNAN-20-ONE, (3.ALPHA.,5.BETA.,12.ALPHA.)-

Systematic Name

English

NSC-62995

Code

English

3.ALPHA.,12.ALPHA.-DIHYDROXY-5.BETA.-PREGNAN-20-ONE DIACETATE

Systematic Name

English

PREGNAN-20-ONE, 3,12-BIS(ACETYLOXY)-, (3.ALPHA.,5.BETA.,12.ALPHA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

F6QL0SF7W6