6.BETA.-HYDROXYNORGESTIMATE, (E)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H31NO4
Molecular Weight	385.4965
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 6.BETA.-HYDROXYNORGESTIMATE, (E)-

Structure Search

SMILES

[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]3([H])[C@@]4([H])CC\C(C=C4[C@H](O)C[C@@]23[H])=N/O

InChI

InChIKey=TUBKSKQGEKSECB-HUIWCHIOSA-N

InChI=1S/C23H31NO4/c1-4-22-10-8-17-16-7-6-15(24-27)12-19(16)21(26)13-18(17)20(22)9-11-23(22,5-2)28-14(3)25/h2,12,16-18,20-21,26-27H,4,6-11,13H2,1,3H3/b24-15+/t16-,17-,18-,20+,21-,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H31NO4
Molecular Weight	385.4965
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 10:41:09 GMT 2023` Edited by `admin` on `Sat Dec 16 10:41:09 GMT 2023`
Record UNII	24GU5BE2T5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6.BETA.-HYDROXYNORGESTIMATE, (E)-

Common Name

English

18,19-DINORPREGN-4-EN-20-YN-3-ONE, 17-(ACETYLOXY)-13-ETHYL-6-HYDROXY-, 3-OXIME, (3E,6.BETA.,17.ALPHA.)-

Systematic Name

English

E-6.BETA.-HYDROXYNORGESTIMATE

Common Name

English

Code System Code Type Description

CAS

108434-19-1

Created by admin on Sat Dec 16 10:41:09 GMT 2023 , Edited by admin on Sat Dec 16 10:41:09 GMT 2023

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PUBCHEM

131865591

Created by admin on Sat Dec 16 10:41:09 GMT 2023 , Edited by admin on Sat Dec 16 10:41:09 GMT 2023

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FDA UNII

24GU5BE2T5

Created by admin on Sat Dec 16 10:41:09 GMT 2023 , Edited by admin on Sat Dec 16 10:41:09 GMT 2023

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