ISOTACHYSTEROL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H44O
Molecular Weight	396.6484
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CCC2=C(CCC[C@]12C)\C=C\C3=C(C)CC[C@H](O)C3)[C@H](C)\C=C\[C@H](C)C(C)C

InChI

InChIKey=WHIQZYTVWTZJNO-GMPZOFGBSA-N

InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-26,29H,7-8,11,14-18H2,1-6H3/b10-9+,13-12+/t20-,22+,25-,26+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H44O
Molecular Weight	396.6484
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:53:34 UTC 2023` Edited by `admin` on `Fri Dec 15 17:53:34 UTC 2023`
Record UNII	9A3Y6WT6UF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOTACHYSTEROL

Common Name

English

3-CYCLOHEXEN-1-OL, 3-((1E)-2-((1R,7AR)-2,3,5,6,7,7A-HEXAHYDRO-7A-METHYL-1-((1R,2E,4R)-1,4,5-TRIMETHYL-2-HEXEN-1-YL)-1H-INDEN-4-YL)ETHENYL)-4-METHYL-, (1S)-

Systematic Name

English

ISOTACHYSTEROL2

Common Name

English

ERGOCALCIFEROL IMPURITY D [EP IMPURITY]

Common Name

English

9,10-SECOERGOSTA-5(10),6,8(14),22-TETRAEN-3-OL, (3.BETA.,6E,22E)-

Systematic Name

English

ISOTACHYSTEROL 2

Common Name

English

(6E,22E)-9,10-SECOERGOSTA-5(10),6,8(14),22-TETRAEN-3.BETA.-OL

Systematic Name

English

9,10-SECOERGOSTA-5(10),6,8(14),22-TETRAEN-3.BETA.-OL, (6E)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

9547231

Created by admin on Fri Dec 15 17:53:34 UTC 2023 , Edited by admin on Fri Dec 15 17:53:34 UTC 2023

PRIMARY

FDA UNII

9A3Y6WT6UF

Created by admin on Fri Dec 15 17:53:34 UTC 2023 , Edited by admin on Fri Dec 15 17:53:34 UTC 2023

PRIMARY

CAS

469-06-7

Created by admin on Fri Dec 15 17:53:34 UTC 2023 , Edited by admin on Fri Dec 15 17:53:34 UTC 2023

PRIMARY

Related Record Type Details


					VS041H42XC

Ergocalciferol

PARENT -> IMPURITY