STIGMASTENONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H48O
Molecular Weight	412.6908
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
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)\C=C\[C@@H](CC)C(C)C

InChI

InChIKey=RTLUSWHIKFIQFU-DALQDKCESA-N

InChI=1S/C29H48O/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/h8-9,19-22,24-27H,7,10-18H2,1-6H3/b9-8+/t20-,21-,22-,24+,25-,26+,27+,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H48O
Molecular Weight	412.6908
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Antituberculosis cycloartane triterpenoids from Radermachera boniana.	2011 May 27	21469696

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:23:33 UTC 2023` Edited by `admin` on `Sat Dec 16 08:23:33 UTC 2023`
Record UNII	85907B49EV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

STIGMASTENONE

Systematic Name

English

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

Common Name

English

24.BETA.-ETHYL-5.BETA.-CHOLEST-22-EN-3-ONE

Systematic Name

English

NSC-63551

Code

English

(5R,8R,9S,10S,13R,14S,17R)-17-((E,2R,5S)-5-ETHYL-6-METHYLHEPT-3-EN-2-YL)-10,13-DIMETHYL-1,2,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA(A)PHENANTHREN-3-ONE

Common Name

English

(5R,8R,9S,10S,13R,14S,17R)-17-((E,2R,5S)-5-ETHYL-6-METHYL-HEPT-3-EN-2-YL)-10,13-DIMETHYL-1,2,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA(A)PHENANTHREN-3-ONE

Common Name

English

(5.BETA.,22E)-STIGMAST-22-EN-3-ONE

Systematic Name

English

STIGMAST-22-EN-3-ONE, (5.BETA.,22E)-

Systematic Name

English

5.BETA.-STIGMAST-22-EN-3-ONE

Systematic Name

English

Code System Code Type Description

NSC

63551

Created by admin on Sat Dec 16 08:23:33 UTC 2023 , Edited by admin on Sat Dec 16 08:23:33 UTC 2023

PRIMARY

CAS

4736-55-4

Created by admin on Sat Dec 16 08:23:33 UTC 2023 , Edited by admin on Sat Dec 16 08:23:33 UTC 2023

PRIMARY

FDA UNII

85907B49EV

Created by admin on Sat Dec 16 08:23:33 UTC 2023 , Edited by admin on Sat Dec 16 08:23:33 UTC 2023

PRIMARY

PUBCHEM

5356634

Created by admin on Sat Dec 16 08:23:33 UTC 2023 , Edited by admin on Sat Dec 16 08:23:33 UTC 2023

PRIMARY

Related Record Type Details


					UD50RBY30F

PLANTAGO OVATA SEED

PARENT -> METABOLITE

Interaction Type:

IN-VIVO

Qualification:

FECAL