22-Hydroxycholesterol

Details

Stereochemistry	EPIMERIC
Molecular Formula	C27H46O2
Molecular Weight	402.6529
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C(O)CCC(C)C

InChI

InChIKey=RZPAXNJLEKLXNO-UKNNTIGFSA-N

InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25?,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H46O2
Molecular Weight	402.6529
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:56:44 GMT 2023` Edited by `admin` on `Sat Dec 16 18:56:44 GMT 2023`
Record UNII	TJ9HV8VPD2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

22-Hydroxycholesterol

Common Name

English

CHOLEST-5-ENE-3.BETA.,22-DIOL

Systematic Name

English

22R-HYDROXYCHOLESTEROL

Common Name

English

(1R,3aS,3bS,7S,9aR,9bS,11aS)-1-[(2S)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol

Systematic Name

English

(3.BETA.)-CHOLEST-5-ENE-3,22-DIOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30904340