6.BETA.-HYDROXYNORGESTIMATE, (Z)-

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, (Z)-

Structure Search

SMILES

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

InChI

InChIKey=TUBKSKQGEKSECB-AEISQHSXSA-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 `Wed Apr 02 13:07:22 GMT 2025` Edited by `admin` on `Wed Apr 02 13:07:22 GMT 2025`
Record UNII	K9NL9QY3YZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Z-6.BETA.-HYDROXYNORGESTIMATE

Preferred Name

English

6.BETA.-HYDROXYNORGESTIMATE, (Z)-

Common Name

English

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

Systematic Name

English

[(3Z,6R,8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-6-hydroxy-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

Systematic Name

English

Code System Code Type Description

FDA UNII

K9NL9QY3YZ

Created by admin on Wed Apr 02 13:07:22 GMT 2025 , Edited by admin on Wed Apr 02 13:07:22 GMT 2025

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PUBCHEM

171157667

Created by admin on Wed Apr 02 13:07:22 GMT 2025 , Edited by admin on Wed Apr 02 13:07:22 GMT 2025

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CAS

108434-20-4

Created by admin on Wed Apr 02 13:07:22 GMT 2025 , Edited by admin on Wed Apr 02 13:07:22 GMT 2025

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