ERGOSTA-4,6,8(14)-TRIEN-3-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H42O
Molecular Weight	394.6325
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ERGOSTA-4,6,8(14)-TRIEN-3-ONE

Structure Search

SMILES

[H][C@@]1(CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](C)C(C)C

InChI

InChIKey=RJJJGGWJMPYXMY-CXZAJWDXSA-N

InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,17-20,24,26H,7-8,11-16H2,1-6H3/t19-,20+,24+,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H42O
Molecular Weight	394.6325
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:25:07 GMT 2023` Edited by `admin` on `Sat Dec 16 11:25:07 GMT 2023`
Record UNII	0881N09HOI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERGOSTA-4,6,8(14)-TRIEN-3-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

0881N09HOI

Created by admin on Sat Dec 16 11:25:07 GMT 2023 , Edited by admin on Sat Dec 16 11:25:07 GMT 2023

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CAS

58189-21-2

Created by admin on Sat Dec 16 11:25:07 GMT 2023 , Edited by admin on Sat Dec 16 11:25:07 GMT 2023

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PUBCHEM

54269865

Created by admin on Sat Dec 16 11:25:07 GMT 2023 , Edited by admin on Sat Dec 16 11:25:07 GMT 2023

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