ALLOPREGNANE 3,20-DIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H40O4
Molecular Weight	404.5827
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLOPREGNANE 3,20-DIACETATE

Structure Search

SMILES

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

InChI

InChIKey=VDZDKQBSTYNFGG-GESQZIMISA-N

InChI=1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15-,18-,19+,20-,21+,22-,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H40O4
Molecular Weight	404.5827
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Aldo-keto reductase family 1 member C1 4 Target ID: CHEMBL5905 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12604236 \| https://www.ncbi.nlm.nih.gov/pubmed/19007763	Substrate 661

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:55:28 GMT 2025` Edited by `admin` on `Mon Mar 31 21:55:28 GMT 2025`
Record UNII	N0ZLS3RJX9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ALLOPREGNANE 3,20-DIACETATE

Common Name

English

ALLOPREGNANE-3.ALPHA.,20.ALPHA.-DIOL DIACETATE

Preferred Name

English

PREGNANE-3,20-DIOL, DIACETATE, (3.ALPHA.,5.ALPHA.,20S)-

Systematic Name

English

3.ALPHA.,20.ALPHA.-DIACETOXY-5.ALPHA.-PREGNANE

Systematic Name

English

ALLOPREGNANE-3.ALPHA.,20.ALPHA.-DIOL DIACETATE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

N0ZLS3RJX9