11,12-Epoxypregnane-3,20-dione, (5β,11α,12α)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30O3
Molecular Weight	330.4611
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 11,12-Epoxypregnane-3,20-dione, (5β,11α,12α)-

Structure Search

SMILES

[H][C@@]12O[C@]1([H])[C@]3(C)[C@H](CC[C@@]3([H])[C@]4([H])CC[C@]5([H])CC(=O)CC[C@]5(C)[C@@]24[H])C(C)=O

InChI

InChIKey=ZUTUSHGUIOPVJS-UICWUCEBSA-N

InChI=1S/C21H30O3/c1-11(22)15-6-7-16-14-5-4-12-10-13(23)8-9-20(12,2)17(14)18-19(24-18)21(15,16)3/h12,14-19H,4-10H2,1-3H3/t12-,14+,15-,16+,17-,18+,19+,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O3
Molecular Weight	330.4611
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 `Sat Dec 16 20:00:50 GMT 2023` Edited by `admin` on `Sat Dec 16 20:00:50 GMT 2023`
Record UNII	BC7L722GX3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

11,12-Epoxypregnane-3,20-dione, (5β,11α,12α)-

Systematic Name

English

5β-Pregnane-3,20-dione, 11α,12α-epoxy-

Systematic Name

English

NSC-62994

Code

English

Pregnane-3,20-dione, 11,12-epoxy-, (5β,11α,12α)-

Systematic Name

English

(5β,11α,12α)-11,12-Epoxypregnane-3,20-dione

Systematic Name

English

Code System Code Type Description

PUBCHEM

247730

Created by admin on Sat Dec 16 20:00:50 GMT 2023 , Edited by admin on Sat Dec 16 20:00:50 GMT 2023

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FDA UNII

BC7L722GX3

Created by admin on Sat Dec 16 20:00:50 GMT 2023 , Edited by admin on Sat Dec 16 20:00:50 GMT 2023

PRIMARY

NSC

62994

Created by admin on Sat Dec 16 20:00:50 GMT 2023 , Edited by admin on Sat Dec 16 20:00:50 GMT 2023

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CAS

2111-07-1

Created by admin on Sat Dec 16 20:00:50 GMT 2023 , Edited by admin on Sat Dec 16 20:00:50 GMT 2023

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