2-HYDROXYMETHYL-1,2-DEHYDROETHISTERONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28O3
Molecular Weight	340.4559
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-HYDROXYMETHYL-1,2-DEHYDROETHISTERONE

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C(CO)=C[C@]34C

InChI

InChIKey=KVINKXWDTJUXKW-LHZXLZLDSA-N

InChI=1S/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11-12,16-18,23,25H,5-10,13H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28O3
Molecular Weight	340.4559
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Thu Jul 06 14:44:10 UTC 2023` Edited by `admin` on `Thu Jul 06 14:44:10 UTC 2023`
Record UNII	M2U9M12FYT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HYDROXYMETHYL-1,2-DEHYDROETHISTERONE

Common Name

English

.DELTA.1-2-HYDROXYMETHYLETHISTERONE

Systematic Name

English

2-HYDROXYMETHYL-1,2-DEHYDROETHISTERONE, (-)-

Systematic Name

English

PREGNA-1,4-DIEN-20-YN-3-ONE, 17-HYDROXY-2-(HYDROXYMETHYL)-, (17.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

60142-08-7

Created by admin on Thu Jul 06 14:44:10 UTC 2023 , Edited by admin on Thu Jul 06 14:44:10 UTC 2023

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PUBCHEM

88101405

Created by admin on Thu Jul 06 14:44:10 UTC 2023 , Edited by admin on Thu Jul 06 14:44:10 UTC 2023

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FDA UNII

M2U9M12FYT

Created by admin on Thu Jul 06 14:44:10 UTC 2023 , Edited by admin on Thu Jul 06 14:44:10 UTC 2023

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