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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O2
Molecular Weight 400.6371
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5.BETA.-CHOLESTANE-3,6-DIONE

SMILES

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

InChI

InChIKey=LNGLEOIUQBVRRY-XYLRQVFISA-N
InChI=1S/C27H44O2/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/h17-18,20-24H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,24+,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H44O2
Molecular Weight 400.6371
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 12:50:39 GMT 2023
Edited
by admin
on Sat Dec 16 12:50:39 GMT 2023
Record UNII
W83PH5C9MP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5.BETA.-CHOLESTANE-3,6-DIONE
Systematic Name English
(5R,8S,9S,10R,13R,14S,17R)-10,13-DIMETHYL-17-((2R)-6-METHYLHEPTAN-2-YL)-2,4,5,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHRENE-3,6-DIONE
Systematic Name English
CHOLESTANE-3,6-DIONE, (5.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
W83PH5C9MP
Created by admin on Sat Dec 16 12:50:39 GMT 2023 , Edited by admin on Sat Dec 16 12:50:39 GMT 2023
PRIMARY
PUBCHEM
21155589
Created by admin on Sat Dec 16 12:50:39 GMT 2023 , Edited by admin on Sat Dec 16 12:50:39 GMT 2023
PRIMARY
CAS
22799-16-2
Created by admin on Sat Dec 16 12:50:39 GMT 2023 , Edited by admin on Sat Dec 16 12:50:39 GMT 2023
PRIMARY