(7.ALPHA.,17.ALPHA.)-17-HYDROXY-7-(5-METHYL-2-FURANYL)-3-OXO-PREGNA-4,9(11)-DIENE-21-CARBOXYLIC ACID .GAMMA.-LACTONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H32O4
Molecular Weight	420.5406
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (7.ALPHA.,17.ALPHA.)-17-HYDROXY-7-(5-METHYL-2-FURANYL)-3-OXO-PREGNA-4,9(11)-DIENE-21-CARBOXYLIC ACID .GAMMA.-LACTONE

Structure Search

SMILES

[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC=C4[C@@]2([H])[C@@H](CC5=CC(=O)CC[C@]45C)C6=CC=C(C)O6

InChI

InChIKey=MOIVHACLFSSDPA-ZFTPGLCWSA-N

InChI=1S/C27H32O4/c1-16-4-5-22(30-16)19-15-17-14-18(28)6-10-25(17,2)20-7-11-26(3)21(24(19)20)8-12-27(26)13-9-23(29)31-27/h4-5,7,14,19,21,24H,6,8-13,15H2,1-3H3/t19-,21-,24+,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H32O4
Molecular Weight	420.5406
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:58:07 GMT 2023` Edited by `admin` on `Sat Dec 16 18:58:07 GMT 2023`
Record UNII	WX5VW74SKC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(7.ALPHA.,17.ALPHA.)-17-HYDROXY-7-(5-METHYL-2-FURANYL)-3-OXO-PREGNA-4,9(11)-DIENE-21-CARBOXYLIC ACID .GAMMA.-LACTONE

Systematic Name

English

PREGNA-4,9(11)-DIENE-21-CARBOXYLIC ACID, 17-HYDROXY-7-(5-METHYL-2-FURANYL)-3-OXO-, .GAMMA.-LACTONE, (7.ALPHA.,17.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11510013

Created by admin on Sat Dec 16 18:58:07 GMT 2023 , Edited by admin on Sat Dec 16 18:58:07 GMT 2023

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FDA UNII

WX5VW74SKC

Created by admin on Sat Dec 16 18:58:07 GMT 2023 , Edited by admin on Sat Dec 16 18:58:07 GMT 2023

PRIMARY

CAS

610785-40-5

Created by admin on Sat Dec 16 18:58:07 GMT 2023 , Edited by admin on Sat Dec 16 18:58:07 GMT 2023

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