20.ALPHA.-HYDROXYCHOLESTEROL

Details

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

SHOW SMILES / InChI

Structure of 20.ALPHA.-HYDROXYCHOLESTEROL

Structure Search

SMILES

[H][C@@]12CC[C@]([H])([C@@](C)(O)CCCC(C)C)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C[C@@H](O)CC[C@]34C

InChI

InChIKey=MCKLJFJEQRYRQT-APGJSSKUSA-N

InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H46O2
Molecular Weight	402.6529
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
HPLC method for quantification and characterization of cholesterol and its oxidation products in eggs.	2006 Jun	16981439

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:54:44 GMT 2023` Edited by `admin` on `Sat Dec 16 05:54:44 GMT 2023`
Record UNII	30060WAL99
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

20.ALPHA.-HYDROXYCHOLESTEROL

Common Name

English

20S-CHOLEST-5-ENE-3.BETA.,20-DIOL

Common Name

English

CHOLEST-5-ENE-3.BETA.,20.ALPHA.-DIOL

Common Name

English

(20S)-20-HYDROXYCHOLESTEROL

Systematic Name

English

CHOLEST-5-ENE-3.BETA.,20-DIOL, (20S)-

Systematic Name

English

CHOLEST-5-ENE-3,20-DIOL, (3.BETA.)-

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

761620