PREGNA-1,4,17(20)-TRIEN-21-AL, 11,20-DIHYDROXY-6-METHYL-3-OXO-, (6.ALPHA.,11.BETA.)-, (E)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28O4
Molecular Weight	356.4553
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PREGNA-1,4,17(20)-TRIEN-21-AL, 11,20-DIHYDROXY-6-METHYL-3-OXO-, (6.ALPHA.,11.BETA.)-, (E)-

Structure Search

SMILES

[H][C@@]12CC\C(=C(/O)C=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@H](C)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=XYGYYRSXRDASPZ-WRKVFVSJSA-N

InChI=1S/C22H28O4/c1-12-8-14-15-4-5-16(19(26)11-23)22(15,3)10-18(25)20(14)21(2)7-6-13(24)9-17(12)21/h6-7,9,11-12,14-15,18,20,25-26H,4-5,8,10H2,1-3H3/b19-16+/t12-,14-,15-,18-,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H28O4
Molecular Weight	356.4553
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:39:49 GMT 2023` Edited by `admin` on `Sat Dec 16 18:39:49 GMT 2023`
Record UNII	KQY3U4DAB7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PREGNA-1,4,17(20)-TRIEN-21-AL, 11,20-DIHYDROXY-6-METHYL-3-OXO-, (6.ALPHA.,11.BETA.)-, (E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

KQY3U4DAB7

Created by admin on Sat Dec 16 18:39:49 GMT 2023 , Edited by admin on Sat Dec 16 18:39:49 GMT 2023

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PUBCHEM

138987993

Created by admin on Sat Dec 16 18:39:49 GMT 2023 , Edited by admin on Sat Dec 16 18:39:49 GMT 2023

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