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

Structure Search

SMILES

[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]3([H])[C@@]4([H])C[C@@H](O)C(=O)C=C4C(CO)=C[C@@]23[H]

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 `Sat Dec 16 19:50:28 GMT 2023` Edited by `admin` on `Sat Dec 16 19:50:28 GMT 2023`
Record UNII	W655W625YJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2α)-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)-, (2α)-

Systematic Name

English

Code System Code Type Description

CAS

1800078-51-6

Created by admin on Sat Dec 16 19:50:28 GMT 2023 , Edited by admin on Sat Dec 16 19:50:28 GMT 2023

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FDA UNII

W655W625YJ

Created by admin on Sat Dec 16 19:50:28 GMT 2023 , Edited by admin on Sat Dec 16 19:50:28 GMT 2023

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PUBCHEM

168429525

Created by admin on Sat Dec 16 19:50:28 GMT 2023 , Edited by admin on Sat Dec 16 19:50:28 GMT 2023

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