A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, 2-(4-morpholineacetate)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H39NO4
Molecular Weight	453.6136
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, 2-(4-morpholineacetate)

Structure Search

SMILES

[H][C@]12C[C@](C[C@]1(C)[C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@@]4(O)C#C)[C@]3([H])CC2)(OC(=O)CN5CCOCC5)C#C

InChI

InChIKey=UCWYEAYOUHGHBZ-VUXVUIOGSA-N

InChI=1S/C28H39NO4/c1-5-27(33-24(30)18-29-13-15-32-16-14-29)17-20-7-8-21-22(25(20,3)19-27)9-11-26(4)23(21)10-12-28(26,31)6-2/h1-2,20-23,31H,7-19H2,3-4H3/t20-,21+,22-,23-,25-,26-,27+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H39NO4
Molecular Weight	453.6136
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:05:41 GMT 2023` Edited by `admin` on `Sat Dec 16 08:05:41 GMT 2023`
Record UNII	HDH7VL4JZK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, 2-(4-morpholineacetate)

Common Name

English

[(2R,3aS,3bS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]2-morpholin-4-ylacetate

Systematic Name

English

4-Morpholineacetic acid, (2R,3aS,3bS,6R,8aS,8bR,10aS)-2,6-diethynylhexadecahydro-6-hydroxy-3a,5a-dimethyldicyclopenta[a,f]naphthalen-2-yl ester

Common Name

English

Code System Code Type Description

CAS

142546-49-4

Created by admin on Sat Dec 16 08:05:41 GMT 2023 , Edited by admin on Sat Dec 16 08:05:41 GMT 2023

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EPA CompTox

DTXSID70931514

Created by admin on Sat Dec 16 08:05:41 GMT 2023 , Edited by admin on Sat Dec 16 08:05:41 GMT 2023

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FDA UNII

HDH7VL4JZK

Created by admin on Sat Dec 16 08:05:41 GMT 2023 , Edited by admin on Sat Dec 16 08:05:41 GMT 2023

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PUBCHEM

3072449

Created by admin on Sat Dec 16 08:05:41 GMT 2023 , Edited by admin on Sat Dec 16 08:05:41 GMT 2023

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