3-OXO-17.ALPHA.-PREGN-4-ENE-7.ALPHA.,9:21,17-DICARBOLACTONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28O5
Molecular Weight	384.4654
Optical Activity	( - )
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-OXO-17.ALPHA.-PREGN-4-ENE-7.ALPHA.,9:21,17-DICARBOLACTONE

Structure Search

SMILES

[H][C@@]12CC3=CC(=O)CC[C@]3(C)[C@]4(CC[C@@]5(C)[C@@]([H])(CC[C@@]56CCC(=O)O6)[C@]14[H])OC2=O

InChI

InChIKey=JEYBOVMEDWCFRQ-LNWVBKRPSA-N

InChI=1S/C23H28O5/c1-20-6-3-14(24)11-13(20)12-15-18-16-4-7-22(8-5-17(25)27-22)21(16,2)9-10-23(18,20)28-19(15)26/h11,15-16,18H,3-10,12H2,1-2H3/t15-,16+,18+,20+,21+,22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H28O5
Molecular Weight	384.4654
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:01:35 GMT 2023` Edited by `admin` on `Sat Dec 16 19:01:35 GMT 2023`
Record UNII	HB8V386D5U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-OXO-17.ALPHA.-PREGN-4-ENE-7.ALPHA.,9:21,17-DICARBOLACTONE

Systematic Name

English

PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,17-DIHYDROXY-3-OXO-, 7,9:21,17-DILACTONE, (7.ALPHA.,17.ALPHA.)-

Systematic Name

English

EPLERENONE IMPURITY A [EP IMPURITY]

Common Name

English

Code System Code Type Description

CAS

209253-67-8

Created by admin on Sat Dec 16 19:01:36 GMT 2023 , Edited by admin on Sat Dec 16 19:01:36 GMT 2023

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PUBCHEM

156028069

Created by admin on Sat Dec 16 19:01:36 GMT 2023 , Edited by admin on Sat Dec 16 19:01:36 GMT 2023

PRIMARY

FDA UNII

HB8V386D5U

Created by admin on Sat Dec 16 19:01:36 GMT 2023 , Edited by admin on Sat Dec 16 19:01:36 GMT 2023

PRIMARY

Related Record Type Details


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EPLERENONE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: