20-(3-HYDROXY-3-METHYLBUTOXY)PREGNA-5,7-DIENE-1,3-DIOL, (1.ALPHA.,3.BETA.,20S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H42O4
Molecular Weight	418.6093
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 20-(3-HYDROXY-3-METHYLBUTOXY)PREGNA-5,7-DIENE-1,3-DIOL, (1.ALPHA.,3.BETA.,20S)-

Structure Search

SMILES

C[C@H](OCCC(C)(C)O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C

InChI

InChIKey=DUZLDPYKMSNPLT-PUXWAVTRSA-N

InChI=1S/C26H42O4/c1-16(30-13-12-24(2,3)29)20-8-9-21-19-7-6-17-14-18(27)15-23(28)26(17,5)22(19)10-11-25(20,21)4/h6-7,16,18,20-23,27-29H,8-15H2,1-5H3/t16-,18+,20+,21-,22-,23-,25+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H42O4
Molecular Weight	418.6093
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 `Mon Mar 31 18:16:14 GMT 2025` Edited by `admin` on `Mon Mar 31 18:16:14 GMT 2025`
Record UNII	LDE7Y78567
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

20-(3-HYDROXY-3-METHYLBUTOXY)PREGNA-5,7-DIENE-1,3-DIOL, (1.ALPHA.,3.BETA.,20S)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

11200930

Created by admin on Mon Mar 31 18:16:14 GMT 2025 , Edited by admin on Mon Mar 31 18:16:14 GMT 2025

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FDA UNII

LDE7Y78567

Created by admin on Mon Mar 31 18:16:14 GMT 2025 , Edited by admin on Mon Mar 31 18:16:14 GMT 2025

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CAS

142785-61-3

Created by admin on Mon Mar 31 18:16:14 GMT 2025 , Edited by admin on Mon Mar 31 18:16:14 GMT 2025

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EPA CompTox

DTXSID00931643

Created by admin on Mon Mar 31 18:16:14 GMT 2025 , Edited by admin on Mon Mar 31 18:16:14 GMT 2025

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