5.BETA.-STIGMASTAN-3-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H50O
Molecular Weight	414.7067
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BVVFRHKBULZQCQ-OWQQBRNCSA-N

InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-22,24-27H,7-18H2,1-6H3/t20-,21-,22-,24+,25-,26+,27+,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H50O
Molecular Weight	414.7067
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:39:35 GMT 2023` Edited by `admin` on `Sat Dec 16 08:39:35 GMT 2023`
Record UNII	K83G7M9YY9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5.BETA.-STIGMASTAN-3-ONE

Systematic Name

English

STIGMASTAN-3-ONE, (5.BETA.)-

Systematic Name

English

(5R,8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5-ETHYL-6-METHYLHEPTAN-2-YL)-10,13-DIMETHYLHEXADECAHYDRO-3H-CYCLOPENTA(A)PHENANTHREN-3-ONE

Common Name

English

24.BETA.-ETHYL-5.BETA.-CHOLESTAN-3-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

132452056

Created by admin on Sat Dec 16 08:39:35 GMT 2023 , Edited by admin on Sat Dec 16 08:39:35 GMT 2023

PRIMARY

FDA UNII

K83G7M9YY9

Created by admin on Sat Dec 16 08:39:35 GMT 2023 , Edited by admin on Sat Dec 16 08:39:35 GMT 2023

PRIMARY

CAS

107079-97-0

Created by admin on Sat Dec 16 08:39:35 GMT 2023 , Edited by admin on Sat Dec 16 08:39:35 GMT 2023

PRIMARY

Related Record Type Details


					UD50RBY30F

PLANTAGO OVATA SEED

PARENT -> METABOLITE

Interaction Type:

IN-VIVO

Qualification:

FECAL