4-PREGNENE-20,21-DIOL-3,11-DIONE DIACETATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C25H34O6
Molecular Weight	430.5339
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-PREGNENE-20,21-DIOL-3,11-DIONE DIACETATE

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])C(=O)C[C@]12C)C(COC(C)=O)OC(C)=O

InChI

InChIKey=IQBAMUBRSZYYTH-JBRYVHHWSA-N

InChI=1S/C25H34O6/c1-14(26)30-13-22(31-15(2)27)20-8-7-19-18-6-5-16-11-17(28)9-10-24(16,3)23(18)21(29)12-25(19,20)4/h11,18-20,22-23H,5-10,12-13H2,1-4H3/t18-,19-,20+,22?,23+,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H34O6
Molecular Weight	430.5339
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:42:29 GMT 2023` Edited by `admin` on `Sat Dec 16 09:42:29 GMT 2023`
Record UNII	HG1759JA8K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-PREGNENE-20,21-DIOL-3,11-DIONE DIACETATE

Common Name

English

PREGN-4-ENE-3,11-DIONE, 20,21-BIS(ACETYLOXY)-

Systematic Name

English

PREGN-4-ENE-3,11-DIONE, 20,21-DIHYDROXY-, DIACETATE

Systematic Name

English

4-PREGNENE-20,21-DIOL-3,11-DIONE 20,21-DIACETATE

Systematic Name

English

Code System Code Type Description

FDA UNII

HG1759JA8K

Created by admin on Sat Dec 16 09:42:29 GMT 2023 , Edited by admin on Sat Dec 16 09:42:29 GMT 2023

PRIMARY

CAS

6147-71-3

Created by admin on Sat Dec 16 09:42:29 GMT 2023 , Edited by admin on Sat Dec 16 09:42:29 GMT 2023

PRIMARY

PUBCHEM

91667943

Created by admin on Sat Dec 16 09:42:29 GMT 2023 , Edited by admin on Sat Dec 16 09:42:29 GMT 2023

PRIMARY