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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 of CHOLEST-4-ENE-3,6-DIONE

SMILES

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

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

PubMed

TitleDatePubMed
3-Keto-22-epi-28-nor-cathasterone, a brassinosteroid-related metabolite from Cystoseira myrica.
2009-11
Synthesis and cytotoxic analysis of some disodium 3beta,6beta-dihydroxysterol disulfates.
2009-02-21
Jones oxidation and high performance liquid chromatographic analysis of cholesterol in biological samples.
2007-10-15
In vitro study of flavonoids, fatty acids, and steroids on proliferation of rat hepatic stellate cells.
2005-03-25
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:59:23 GMT 2025
Edited
by admin
on Mon Mar 31 19:59:23 GMT 2025
Record UNII
4ZQO2P8K33
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.DELTA.4-CHOLESTENE-3,6-DIONE
Preferred Name English
CHOLEST-4-ENE-3,6-DIONE
Systematic Name English
CHOLEST-5-ENE-3,6-DIONE
Common Name English
Code System Code Type Description
PUBCHEM
101934
Created by admin on Mon Mar 31 19:59:23 GMT 2025 , Edited by admin on Mon Mar 31 19:59:23 GMT 2025
PRIMARY
CAS
984-84-9
Created by admin on Mon Mar 31 19:59:23 GMT 2025 , Edited by admin on Mon Mar 31 19:59:23 GMT 2025
PRIMARY
FDA UNII
4ZQO2P8K33
Created by admin on Mon Mar 31 19:59:23 GMT 2025 , Edited by admin on Mon Mar 31 19:59:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID20913305
Created by admin on Mon Mar 31 19:59:23 GMT 2025 , Edited by admin on Mon Mar 31 19:59:23 GMT 2025
PRIMARY