25-HYDROXYTACHYSTEROL 3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O2
Molecular Weight	400.6371
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])C(=CCC[C@]12C)\C=C\C3=C(C)CC[C@H](O)C3)[C@H](C)CCCC(C)(C)O

InChI

InChIKey=UVVWRMXOHIVZBN-RPAZCORHSA-N

InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h9,11-12,20,23-25,28-29H,6-8,10,13-18H2,1-5H3/b12-11+/t20-,23+,24-,25+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O2
Molecular Weight	400.6371
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:24:24 UTC 2023` Edited by `admin` on `Sat Dec 16 10:24:24 UTC 2023`
Record UNII	ZEA0QJW0SK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

25-HYDROXYTACHYSTEROL 3

Common Name

English

9,10-Secocholesta-5(10),6,8-triene-3,25-diol, (3β,6E)-

Systematic Name

English

25-HYDROXYTACHYSTEROL<SUB>3</SUB>

Common Name

English

CALCIFEDIOL MONOHYDRATE IMPURITY C [EP IMPURITY]

Common Name

English

1H-Indene-1-pentanol, 4-[(1E)-2-[(5S)-5-hydroxy-2-methyl-1-cyclohexen-1-yl]ethenyl]-2,3,3a,6,7,7a-hexahydro-α,α,ε,7a-tetramethyl-, (εR,1R,3aR,7aR)-

Systematic Name

English

(3S,6E)-9,10-secocholesta-5(10),6,8-triene-3,25-diol

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID601100823

Created by admin on Sat Dec 16 10:24:24 UTC 2023 , Edited by admin on Sat Dec 16 10:24:24 UTC 2023

PRIMARY

CAS

39932-44-0

Created by admin on Sat Dec 16 10:24:24 UTC 2023 , Edited by admin on Sat Dec 16 10:24:24 UTC 2023

PRIMARY

FDA UNII

ZEA0QJW0SK

Created by admin on Sat Dec 16 10:24:24 UTC 2023 , Edited by admin on Sat Dec 16 10:24:24 UTC 2023

PRIMARY

PUBCHEM

101670588

Created by admin on Sat Dec 16 10:24:24 UTC 2023 , Edited by admin on Sat Dec 16 10:24:24 UTC 2023

PRIMARY

Related Record Type Details


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CALCIFEDIOL

PARENT -> IMPURITY

Amount: