5.BETA.-CHOLESTANE-3,6-DIONE

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

Structure Search

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

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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

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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

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