(2?)-17-(Acetyloxy)-2-hydroxy-6-(hydroxymethyl)-19-norpregna-4,6-diene-3,20-dione

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30O6
Molecular Weight	402.4807
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2?)-17-(Acetyloxy)-2-hydroxy-6-(hydroxymethyl)-19-norpregna-4,6-diene-3,20-dione

Structure Search

SMILES

CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(CO)C4=CC(=O)[C@H](O)C[C@@H]4[C@H]3CC[C@]12C)C(C)=O

InChI

InChIKey=XROCMPKAVGUDGD-IWJARNJWSA-N

InChI=1S/C23H30O6/c1-12(25)23(29-13(2)26)7-5-19-18-8-14(11-24)16-9-20(27)21(28)10-17(16)15(18)4-6-22(19,23)3/h8-9,15,17-19,21,24,28H,4-7,10-11H2,1-3H3/t15-,17-,18-,19+,21-,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H30O6
Molecular Weight	402.4807
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 `Wed Apr 02 17:23:46 GMT 2025` Edited by `admin` on `Wed Apr 02 17:23:46 GMT 2025`
Record UNII	W655W625YJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2?)-17-(Acetyloxy)-2-hydroxy-6-(hydroxymethyl)-19-norpregna-4,6-diene-3,20-dione

Systematic Name

English

19-Norpregna-4,6-diene-3,20-dione, 17-(acetyloxy)-2-hydroxy-6-(hydroxymethyl)-, (2?)-

Preferred Name

English

Code System Code Type Description

CAS

1800078-51-6

Created by admin on Wed Apr 02 17:23:46 GMT 2025 , Edited by admin on Wed Apr 02 17:23:46 GMT 2025

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FDA UNII

W655W625YJ

Created by admin on Wed Apr 02 17:23:46 GMT 2025 , Edited by admin on Wed Apr 02 17:23:46 GMT 2025

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PUBCHEM

168429525

Created by admin on Wed Apr 02 17:23:46 GMT 2025 , Edited by admin on Wed Apr 02 17:23:46 GMT 2025

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