CHOLEST-4-ENE-3,6-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H42O2
Molecular Weight	398.6212
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)C4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

InChI

InChIKey=GWOSBUGZGFVDDS-LKGWFGLDSA-N

InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H42O2
Molecular Weight	398.6212
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Jones oxidation and high performance liquid chromatographic analysis of cholesterol in biological samples.	2007 Oct 15	17884740
3-Keto-22-epi-28-nor-cathasterone, a brassinosteroid-related metabolite from Cystoseira myrica.	2009 Nov	19576917
Synthesis and cytotoxic analysis of some disodium 3beta,6beta-dihydroxysterol disulfates.	2009 Nov-Dec	19703482

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:51:52 GMT 2023` Edited by `admin` on `Fri Dec 15 19:51:52 GMT 2023`
Record UNII	4ZQO2P8K33
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHOLEST-4-ENE-3,6-DIONE

Systematic Name

English

.DELTA.4-CHOLESTENE-3,6-DIONE

Common Name

English

CHOLEST-5-ENE-3,6-DIONE

Common Name

English

Code System Code Type Description

PUBCHEM

101934

Created by admin on Fri Dec 15 19:51:52 GMT 2023 , Edited by admin on Fri Dec 15 19:51:52 GMT 2023

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CAS

984-84-9

Created by admin on Fri Dec 15 19:51:52 GMT 2023 , Edited by admin on Fri Dec 15 19:51:52 GMT 2023

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FDA UNII

4ZQO2P8K33

Created by admin on Fri Dec 15 19:51:52 GMT 2023 , Edited by admin on Fri Dec 15 19:51:52 GMT 2023

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EPA CompTox

DTXSID20913305

Created by admin on Fri Dec 15 19:51:52 GMT 2023 , Edited by admin on Fri Dec 15 19:51:52 GMT 2023

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